TBC3K_HUMAN Loading...

TBC1 domain family member 3K

Acts as a GTPase activating protein for RAB5. Does not act on RAB4 or RAB11 (By similarity).

AlphaFold DB , UniProt , Accession A0A087X1G2, Species HUMAN (Homo sapiens, Human), Gene TBC1D3K, Length 549 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M56.7Low70.6Confident204 Ų204114.3 Ų114.3100%1.00562%0.619SS**  0-34.60-80.3174.2170.900110.2V3 V4M1-V3 VanDerWaalsContact C-N 3.34Å; M1-V3 PolarHBondContact O-N 3.27Å; M1-V3 VanDerWaalsContact O-N 3.16Å; M1-V4 PolarHBondContact O-N 2.79Å
2D62.3Low72Confident121 Ų121107.6 Ų107.665%0.64759%0.591SS**Hα-helixtrans-49.6-39.6179.7-52.4-11.6000116.4V4 E5 V6D2-V4 VanDerWaalsContact C-N 3.31Å; D2-V4 PolarHBondContact O-N 2.96Å; D2-E5 PolarHBondContact O-N 3.38Å; D2-V6 WeakPolarHBondContact O-CB 3.41Å; D2-V6 WeakPolarHBondContact O-CG2 3.36Å; D2-V6 PolarHBondContact O-N 3.47Å
3V64.3Low73.3Confident123 Ų123107.8 Ų107.875%0.74559%0.585SS**Hα-helixtrans-64.2-34.8-176.5-176.90000112.6M1 A7M1-V3 VanDerWaalsContact C-N 3.34Å; M1-V3 PolarHBondContact O-N 3.27Å; M1-V3 VanDerWaalsContact O-N 3.16Å; V3-A7 WeakPolarHBondContact O-CB 3.47Å; V3-A7 PolarHBondContact O-N 3.24Å; V3-A7 VanDerWaalsContact O-N 3.08Å
4V65.3Low74.4Confident119 Ų119103.9 Ų103.972%0.72156%0.561SS**Hα-helixtrans-75.8-38.9-179.3178.90000110.8M1 D2 A7 G8M1-V4 PolarHBondContact O-N 2.79Å; D2-V4 VanDerWaalsContact C-N 3.31Å; D2-V4 PolarHBondContact O-N 2.96Å; V4-A7 PolarHBondContact O-N 3.35Å; V4-G8 PolarHBondContact O-N 3.2Å
5E67.2Low75.6Confident143 Ų143100.2 Ų100.267%0.66854%0.536SS*.Hα-helixtrans-67.2-42.3175.9-71-172.5160.700111.8D2 A7 G8 S9D2-E5 PolarHBondContact O-N 3.38Å; E5-A7 PolarHBondContact O-N 3.31Å; E5-G8 PolarHBondContact O-N 3.16Å; E5-S9 WeakPolarHBondContact O-CB 3.18Å; E5-S9 PolarHBondContact O-N 3Å
6V69.7Low76.7Confident102 Ų10299.7 Ų99.762%0.61853%0.529SS*.Hα-helixtrans-62.6-43.7176.3172.90000110.9D2 S9 W10D2-V6 WeakPolarHBondContact O-CB 3.41Å; D2-V6 WeakPolarHBondContact O-CG2 3.36Å; D2-V6 PolarHBondContact O-N 3.47Å; V6-S9 PolarHBondContact O-N 2.94Å; V6-W10 PolarHBondContact O-N 3.32Å; V6-W10 VanDerWaalsContact O-N 3.08Å
7A70.2Confident77.6Confident41 Ų4197.7 Ų97.734%0.33952%0.519SS..Hα-helixtrans-62.6-47.3175.800000111.5V3 V4 E5 S9 W10 W11V3-A7 WeakPolarHBondContact O-CB 3.47Å; V3-A7 PolarHBondContact O-N 3.24Å; V3-A7 VanDerWaalsContact O-N 3.08Å; V4-A7 PolarHBondContact O-N 3.35Å; E5-A7 PolarHBondContact O-N 3.31Å; A7-S9 VanDerWaalsContact C-N 3.33Å; A7-S9 PolarHBondContact O-N 2.73Å; A7-W10 PolarHBondContact O-N 3.25Å; A7-W11 PolarHBondContact O-N 3.49Å
8G74.5Confident78.4Confident41 Ų4192.6 Ų92.642%0.42349%0.491SS..Hα-helixtrans-59.4-40.8178.600000113.4V4 E5 A12V4-G8 PolarHBondContact O-N 3.2Å; E5-G8 PolarHBondContact O-N 3.16Å; G8-A12 WeakPolarHBondContact O-CB 3.22Å; G8-A12 PolarHBondContact O-N 3.08Å; G8-A12 VanDerWaalsContact O-N 3.08Å
9S80.9Confident79.1Confident83 Ų8388.3 Ų88.358%0.5847%0.469SS*.Hα-helixtrans-63.1-42.9174.5171.80000112.2E5 V6 A7 A12 Q13E5-S9 WeakPolarHBondContact O-CB 3.18Å; E5-S9 PolarHBondContact O-N 3Å; V6-S9 PolarHBondContact O-N 2.94Å; A7-S9 VanDerWaalsContact C-N 3.33Å; A7-S9 PolarHBondContact O-N 2.73Å; S9-A12 PolarHBondContact O-N 3.16Å; S9-Q13 PolarHBondContact O-N 3.21Å
10W82.4Confident79.8Confident145 Ų14587.8 Ų87.855%0.54947%0.465SS..Hα-helixtrans-65.1-44.1179.2-169.680.8000112.3V6 A7 A12 Q13 E14V6-W10 PolarHBondContact O-N 3.32Å; V6-W10 VanDerWaalsContact O-N 3.08Å; A7-W10 PolarHBondContact O-N 3.25Å; W10-A12 VanDerWaalsContact C-N 3.32Å; W10-A12 PolarHBondContact O-N 2.95Å; W10-Q13 PolarHBondContact O-N 3.32Å; W10-E14 PolarHBondContact O-N 3.12Å
11W83Confident80.3Confident135 Ų13587 Ų8751%0.51146%0.457SS..Hα-helixtrans-63.1-37.6175.4-64.9117.1000112.5A7 R15A7-W11 PolarHBondContact O-N 3.49Å; W11-R15 WeakPolarHBondContact O-CB 3.3Å; W11-R15 PolarHBondContact O-N 3.42Å
12A87.5Confident82Confident34 Ų3477.3 Ų77.328%0.28141%0.409SS..Hα-helixtrans-66.8-41.1176.500000112.1G8 S9 W10 R15 E16G8-A12 WeakPolarHBondContact O-CB 3.22Å; G8-A12 PolarHBondContact O-N 3.08Å; G8-A12 VanDerWaalsContact O-N 3.08Å; S9-A12 PolarHBondContact O-N 3.16Å; W10-A12 VanDerWaalsContact C-N 3.32Å; W10-A12 PolarHBondContact O-N 2.95Å; A12-R15 PolarHBondContact O-N 3.29Å; A12-E16 PolarHBondContact O-N 3.49Å
13Q89.3Confident83.3Confident110 Ų11075.3 Ų75.351%0.51440%0.396SS..Hα-helixtrans-64.3-47.5176.8-174.561.146.500111.4S9 W10 R15 E16 D17S9-Q13 PolarHBondContact O-N 3.21Å; W10-Q13 PolarHBondContact O-N 3.32Å; Q13-R15 VanDerWaalsContact C-N 3.29Å; Q13-R15 PolarHBondContact O-N 2.94Å; Q13-E16 WeakPolarHBondContact O-CB 3.5Å; Q13-E16 PolarHBondContact O-N 3.01Å; Q13-E16 VanDerWaalsContact O-N 3.16Å; Q13-D17 PolarHBondContact NE2-OD1 3.36Å; Q13-D17 PolarHBondContact O-N 2.74Å
14E88.6Confident84.4Confident54 Ų5475.8 Ų75.825%0.25239%0.388SS..Hα-helixtrans-64.2-36.5179.8-172.961.3-151.500111.7W10 D17 I18 Q143W10-E14 PolarHBondContact O-N 3.12Å; E14-D17 PolarHBondContact O-N 3.46Å; E14-I18 HydrophobicContact CG-CD1 4.39Å; E14-I18 WeakPolarHBondContact O-CG1 3.14Å; E14-I18 PolarHBondContact O-N 3.25Å; E14-Q143 HydrophobicContact CG-CG 4.31Å; E14-Q143 VanDerWaalsContact CG-NE2 3.27Å
15R92.6Very high85.2Confident48 Ų4870.5 Ų70.518%0.18136%0.358CS..Hα-helixtrans-59.7-48.1172.3175.6174.267.5-131.7-6.9111.4W11 A12 Q13 D17 I18 I19 K136 K137 S139 I142W11-R15 WeakPolarHBondContact O-CB 3.3Å; W11-R15 PolarHBondContact O-N 3.42Å; A12-R15 PolarHBondContact O-N 3.29Å; Q13-R15 VanDerWaalsContact C-N 3.29Å; Q13-R15 PolarHBondContact O-N 2.94Å; R15-D17 VanDerWaalsContact C-N 3.33Å; R15-D17 PolarHBondContact O-N 3Å; R15-I18 PolarHBondContact O-N 2.86Å; R15-I19 HydrophobicContact CG-CD1 3.78Å; R15-I19 VanDerWaalsContact O-CG1 3.32Å; R15-I19 WeakPolarHBondContact O-CG1 3.44Å; R15-I19 PolarHBondContact O-N 3.02Å; R15-K136 VanDerWaalsContact CD-O 3.31Å; R15-K136 WeakPolarHBondContact CD-O 2.89Å; R15-K137 PolarHBondContact NE-O 3.01Å; R15-K137 PolarHBondContact NH1-O 3.04Å; R15-K137 PolarHBondContact NH2-O 2.92Å; R15-S139 WeakPolarHBondContact CD-O 3.4Å; R15-S139 PolarHBondContact NH1-O 2.89Å; R15-I142 HydrophobicContact CB-CD1 4.5Å; R15-I142 HydrophobicContact CB-CG2 3.89Å; R15-I142 HydrophobicContact CG-CB 4.47Å; R15-I142 HydrophobicContact CG-CD1 3.72Å; R15-I142 HydrophobicContact CG-CG2 3.93Å
16E92Very high85.1Confident92 Ų9268.1 Ų68.143%0.4335%0.346SS..Hα-helixtrans-61.8-43178.6-168.360.7-149.400111A12 Q13 I18 I19 M20A12-E16 PolarHBondContact O-N 3.49Å; Q13-E16 WeakPolarHBondContact O-CB 3.5Å; Q13-E16 PolarHBondContact O-N 3.01Å; Q13-E16 VanDerWaalsContact O-N 3.16Å; E16-I18 VanDerWaalsContact C-N 3.34Å; E16-I18 PolarHBondContact O-N 3.45Å; E16-I19 PolarHBondContact O-N 3.17Å; E16-M20 HydrophobicContact CG-CG 4.37Å; E16-M20 VanDerWaalsContact O-CB 3.3Å; E16-M20 WeakPolarHBondContact O-CB 3.47Å; E16-M20 VanDerWaalsContact O-CG 3.24Å; E16-M20 WeakPolarHBondContact O-CG 3.42Å; E16-M20 PolarHBondContact O-N 3.24Å
17D91.9Very high84.6Confident66 Ų6673.5 Ų73.535%0.35336%0.355SS..Hα-helixtrans-61.5-40.5178.2-72.3-4.8000112.1Q13 E14 R15 K21Q13-D17 PolarHBondContact NE2-OD1 3.36Å; Q13-D17 PolarHBondContact O-N 2.74Å; E14-D17 PolarHBondContact O-N 3.46Å; R15-D17 VanDerWaalsContact C-N 3.33Å; R15-D17 PolarHBondContact O-N 3Å; D17-K21 VanDerWaalsContact O-CG 3.3Å; D17-K21 WeakPolarHBondContact O-CG 3.42Å; D17-K21 PolarHBondContact O-N 3.34Å; D17-K21 VanDerWaalsContact O-N 3.16Å
18I92.1Very high83.7Confident5 Ų572.7 Ų72.73%0.02635%0.349CS..Hα-helixtrans-64.5-49.3174.5-69.1168000110.4E14 R15 E16 M20 K21 Y22 I142 Q143 D146E14-I18 HydrophobicContact CG-CD1 4.39Å; E14-I18 WeakPolarHBondContact O-CG1 3.14Å; E14-I18 PolarHBondContact O-N 3.25Å; R15-I18 PolarHBondContact O-N 2.86Å; E16-I18 VanDerWaalsContact C-N 3.34Å; E16-I18 PolarHBondContact O-N 3.45Å; I18-M20 VanDerWaalsContact C-N 3.3Å; I18-M20 PolarHBondContact O-N 3.41Å; I18-K21 WeakPolarHBondContact O-CB 3.23Å; I18-K21 PolarHBondContact O-N 2.88Å; I18-K21 VanDerWaalsContact O-N 3.12Å; I18-Y22 HydrophobicContact CG2-CD2 4.13Å; I18-Y22 HydrophobicContact CG2-CE2 3.92Å; I18-Y22 WeakPolarHBondContact O-CD2 3.49Å; I18-Y22 PolarHBondContact O-N 3.38Å; I18-I142 HydrophobicContact CB-CD1 4.14Å; I18-I142 HydrophobicContact CB-CG1 4.47Å; I18-I142 HydrophobicContact CD1-CG2 4.34Å; I18-I142 HydrophobicContact CG2-CD1 3.9Å; I18-I142 HydrophobicContact CG2-CG1 3.98Å; I18-Q143 HydrophobicContact CD1-CB 4.47Å; I18-Q143 HydrophobicContact CD1-CG 3.85Å; I18-D146 HydrophobicContact CD1-CB 4.39Å; I18-D146 HydrophobicContact CG2-CB 4.01Å
19I92.9Very high82.3Confident12 Ų1274.2 Ų74.26%0.06237%0.365CS..Hα-helixtrans-59.5-45.4-179.6-68.5164.6000110.3R15 E16 K21 Y22 E23 K136 I142R15-I19 HydrophobicContact CG-CD1 3.78Å; R15-I19 VanDerWaalsContact O-CG1 3.32Å; R15-I19 WeakPolarHBondContact O-CG1 3.44Å; R15-I19 PolarHBondContact O-N 3.02Å; E16-I19 PolarHBondContact O-N 3.17Å; I19-K21 VanDerWaalsContact C-N 3.26Å; I19-K21 PolarHBondContact O-N 3.4Å; I19-Y22 PolarHBondContact O-N 3.03Å; I19-E23 HydrophobicContact CG2-CG 4.08Å; I19-E23 WeakPolarHBondContact O-CG 3.05Å; I19-E23 PolarHBondContact O-N 3.08Å; I19-K136 HydrophobicContact CD1-CB 3.9Å; I19-K136 HydrophobicContact CD1-CG 4.32Å; I19-K136 WeakPolarHBondContact CD1-O 3.48Å; I19-K136 HydrophobicContact CG2-CD 4.48Å; I19-I142 HydrophobicContact CD1-CD1 3.94Å; I19-I142 HydrophobicContact CG1-CD1 3.58Å
20M92.1Very high80.9Confident78 Ų7875.4 Ų75.438%0.38436%0.364SS..Hα-helixtrans-59.1-34.4177.6-76.6-60.8-5900112.9E16 I18 K24E16-M20 HydrophobicContact CG-CG 4.37Å; E16-M20 VanDerWaalsContact O-CB 3.3Å; E16-M20 WeakPolarHBondContact O-CB 3.47Å; E16-M20 VanDerWaalsContact O-CG 3.24Å; E16-M20 WeakPolarHBondContact O-CG 3.42Å; E16-M20 PolarHBondContact O-N 3.24Å; I18-M20 VanDerWaalsContact C-N 3.3Å; I18-M20 PolarHBondContact O-N 3.41Å; M20-K24 WeakPolarHBondContact O-CB 3.41Å; M20-K24 VanDerWaalsContact O-CG 3.26Å; M20-K24 WeakPolarHBondContact O-CG 3.11Å; M20-K24 PolarHBondContact O-N 2.98Å
21K91.9Very high79.4Confident70 Ų7073.4 Ų73.430%0.30437%0.37SS..Hα-helixtrans-64.7-43.2173.4-70.8164.3-173.5168.40111.6D17 I18 I19 G25 Y163D17-K21 VanDerWaalsContact O-CG 3.3Å; D17-K21 WeakPolarHBondContact O-CG 3.42Å; D17-K21 PolarHBondContact O-N 3.34Å; D17-K21 VanDerWaalsContact O-N 3.16Å; I18-K21 WeakPolarHBondContact O-CB 3.23Å; I18-K21 PolarHBondContact O-N 2.88Å; I18-K21 VanDerWaalsContact O-N 3.12Å; I19-K21 VanDerWaalsContact C-N 3.26Å; I19-K21 PolarHBondContact O-N 3.4Å; K21-G25 PolarHBondContact O-N 3.47Å; K21-G25 VanDerWaalsContact O-N 3.14Å; K21-Y163 HydrophobicContact CB-CD1 4.07Å; K21-Y163 HydrophobicContact CB-CD2 4.33Å; K21-Y163 HydrophobicContact CB-CE1 3.79Å; K21-Y163 HydrophobicContact CB-CE2 4.06Å; K21-Y163 HydrophobicContact CB-CG 4.36Å; K21-Y163 HydrophobicContact CD-CE1 4.48Å; K21-Y163 HydrophobicContact CD-CE2 4.47Å
22Y91.5Very high77.8Confident1 Ų176.1 Ų76.10%0.00439%0.388CS..Hα-helixtrans-69.1-38.5176.3-78-89.2000113.1I18 I19 G25 D146 V149 R162 Y163 Q167 R168 L171I18-Y22 HydrophobicContact CG2-CD2 4.13Å; I18-Y22 HydrophobicContact CG2-CE2 3.92Å; I18-Y22 WeakPolarHBondContact O-CD2 3.49Å; I18-Y22 PolarHBondContact O-N 3.38Å; I19-Y22 PolarHBondContact O-N 3.03Å; Y22-G25 PolarHBondContact O-N 2.79Å; Y22-G25 VanDerWaalsContact O-N 3.15Å; Y22-D146 WeakPolarHBondContact CE2-OD1 3.34Å; Y22-D146 PolarHBondContact OH-OD1 3.1Å; Y22-V149 HydrophobicContact CE1-CG1 4.2Å; Y22-V149 WeakPolarHBondContact OH-CG1 3.18Å; Y22-R162 PolarHBondContact OH-NH1 3.38Å; Y22-Y163 AromaticContact CD1-CD1 3.89Å; Y22-Y163 HydrophobicContact CD1-CD1 3.89Å; Y22-Y163 AromaticContact CD2-CD1 3.79Å; Y22-Y163 HydrophobicContact CD2-CD1 3.79Å; Y22-Y163 HydrophobicContact CD2-CE1 4.08Å; Y22-Y163 AromaticContact CE1-CD1 3.89Å; Y22-Y163 HydrophobicContact CE1-CD1 3.89Å; Y22-Y163 AromaticContact CE2-CD1 3.78Å; Y22-Y163 HydrophobicContact CE2-CD1 3.78Å; Y22-Y163 AromaticContact CE2-CE1 3.81Å; Y22-Y163 HydrophobicContact CE2-CE1 3.81Å; Y22-Y163 AromaticContact CG-CD1 3.86Å; Y22-Y163 HydrophobicContact CG-CD1 3.86Å; Y22-Y163 AromaticContact CZ-CD1 3.84Å; Y22-Q167 HydrophobicContact CE1-CB 4.12Å; Y22-R168 HydrophobicContact CD1-CB 3.96Å; Y22-R168 HydrophobicContact CD1-CG 4.48Å; Y22-R168 WeakPolarHBondContact O-CD 3.11Å; Y22-L171 HydrophobicContact CD1-CB 4.3Å; Y22-L171 HydrophobicContact CD1-CD2 4.12Å; Y22-L171 HydrophobicContact CD2-CD1 4.45Å; Y22-L171 HydrophobicContact CD2-CD2 3.51Å; Y22-L171 HydrophobicContact CD2-CG 4.47Å; Y22-L171 HydrophobicContact CE1-CB 4.06Å; Y22-L171 HydrophobicContact CE1-CD2 4.36Å; Y22-L171 HydrophobicContact CE2-CD1 3.86Å; Y22-L171 HydrophobicContact CE2-CD2 3.79Å; Y22-L171 HydrophobicContact CE2-CG 4.31Å; Y22-L171 HydrophobicContact CG-CD2 3.67Å
23E89.6Confident76.1Confident80 Ų8075.2 Ų75.237%0.37438%0.378SS..Hα-helixtrans-67.1-38.9178.4-66.1-62.7173.700111.8I19 G25 K136 H172I19-E23 HydrophobicContact CG2-CG 4.08Å; I19-E23 WeakPolarHBondContact O-CG 3.05Å; I19-E23 PolarHBondContact O-N 3.08Å; E23-G25 PolarHBondContact O-N 3.08Å; E23-K136 IonicContact OE1-NZ 2.91Å; E23-K136 PolarHBondContact OE1-NZ 3.47Å; E23-H172 IonicContact OE1-NE2 3.47Å
24K87.3Confident73.9Confident133 Ų13378 Ų7858%0.57839%0.389SS*.Hα-helixtrans-66.9-23.5171.7-73.2174.5-179.8175.70113.2M20 A28M20-K24 WeakPolarHBondContact O-CB 3.41Å; M20-K24 VanDerWaalsContact O-CG 3.26Å; M20-K24 WeakPolarHBondContact O-CG 3.11Å; M20-K24 PolarHBondContact O-N 2.98Å; K24-A28 HydrophobicContact CB-CB 4.27Å
25G81.4Confident72Confident8 Ų876.1 Ų76.18%0.08238%0.384CS..G310 helixtrans62.1-157.9-176.300000113K21 Y22 E23 R27 A28 Y163K21-G25 PolarHBondContact O-N 3.47Å; K21-G25 VanDerWaalsContact O-N 3.14Å; Y22-G25 PolarHBondContact O-N 2.79Å; Y22-G25 VanDerWaalsContact O-N 3.15Å; E23-G25 PolarHBondContact O-N 3.08Å; G25-R27 PolarHBondContact O-N 2.56Å; G25-A28 WeakPolarHBondContact O-CB 3.09Å; G25-A28 PolarHBondContact O-N 2.76Å; G25-A28 VanDerWaalsContact O-N 3.1Å; G25-Y163 WeakPolarHBondContact CA-O 3.43Å
26H65.8Low69.8Low92 Ų9277.5 Ų77.543%0.42640%0.399SS..G310 helixtrans-60.5-10.1-175.8-161.758.8000114.9A28 R162H26-A28 PolarHBondContact O-N 3.18Å; H26-R162 PolarHBondContact ND1-O 2.83Å; H26-R162 VanDerWaalsContact ND1-O 3.11Å
27R58.2Low67.4Low215 Ų21582 Ų8281%0.81142%0.417SS*.G310 helixtrans-79.56.2174.1-69.8-171.7-176-178.35.6113.7G25 G29G25-R27 PolarHBondContact O-N 2.56Å; R27-G29 PolarHBondContact O-N 3.36Å
28A53.1Low65Low25 Ų2584.1 Ų84.121%0.20743%0.434CS..  trans-68.61.1-177.700000116.1K24 G25 H26 L30K24-A28 HydrophobicContact CB-CB 4.27Å; G25-A28 WeakPolarHBondContact O-CB 3.09Å; G25-A28 PolarHBondContact O-N 2.76Å; G25-A28 VanDerWaalsContact O-N 3.1Å; H26-A28 PolarHBondContact O-N 3.18Å; A28-L30 VanDerWaalsContact C-N 3.35Å; A28-L30 PolarHBondContact O-N 2.83Å
29G44.4Very low62.5Low73 Ų7388.5 Ų88.575%0.75345%0.454SS*.  trans70.69.6148.500000118.7R27R27-G29 PolarHBondContact O-N 3.36Å
30L51.7Low59.9Low108 Ų10899.3 Ų99.357%0.56549%0.494SS*.  trans-101.4144.9178.9-78.3162.4000112.7A28 E32 D33A28-L30 VanDerWaalsContact C-N 3.35Å; A28-L30 PolarHBondContact O-N 2.83Å; L30-E32 PolarHBondContact O-N 2.8Å; L30-E32 VanDerWaalsContact O-N 3.16Å; L30-D33 VanDerWaalsContact O-CB 3.32Å; L30-D33 WeakPolarHBondContact O-CB 3.08Å; L30-D33 PolarHBondContact O-N 3.47Å
31P49.7Very low57.5Low103 Ų10399.5 Ų99.567%0.66950%0.502SS*.G310 helixtrans-56.5-30.5-180-23.732.3000114.4D33P31-D33 VanDerWaalsContact C-N 3.27Å; P31-D33 PolarHBondContact O-N 2.78Å
32E50.3Low55.6Low192 Ų19299.3 Ų99.390%0.89750%0.5SS*.G310 helixtrans-76-14.2179.6-65.3-179164.500113.5L30 K34L30-E32 PolarHBondContact O-N 2.8Å; L30-E32 VanDerWaalsContact O-N 3.16Å; E32-K34 VanDerWaalsContact C-N 3.33Å
33D50.9Low54.1Low14 Ų14101.5 Ų101.58%0.07551%0.512CS..G310 helixtrans-89.9-3.6-179.6-156.412.2000113L30 P31 G35 R162 Y163L30-D33 VanDerWaalsContact O-CB 3.32Å; L30-D33 WeakPolarHBondContact O-CB 3.08Å; L30-D33 PolarHBondContact O-N 3.47Å; P31-D33 VanDerWaalsContact C-N 3.27Å; P31-D33 PolarHBondContact O-N 2.78Å; D33-G35 VanDerWaalsContact C-N 3.34Å; D33-G35 PolarHBondContact O-N 2.83Å; D33-R162 WeakPolarHBondContact OD1-CB 3.25Å; D33-R162 WeakPolarHBondContact OD1-CG 3.14Å; D33-Y163 VanDerWaalsContact CG-CD2 3.45Å; D33-Y163 WeakPolarHBondContact OD1-CD2 3.41Å; D33-Y163 WeakPolarHBondContact OD1-CE2 3.23Å; D33-Y163 WeakPolarHBondContact OD2-CD2 3.4Å; D33-Y163 WeakPolarHBondContact OD2-CE2 3.45Å
34K43.7Very low52.8Low170 Ų170101.5 Ų101.574%0.73951%0.514SS*.  trans-73.891.7176.9-65-172.4-179.7-179.30108.8E32E32-K34 VanDerWaalsContact C-N 3.33Å
35G48.2Very low52.3Low13 Ų1395.5 Ų95.513%0.13449%0.489CS..  trans-47.2163.3155.300000111D33 K37D33-G35 VanDerWaalsContact C-N 3.34Å; D33-G35 PolarHBondContact O-N 2.83Å; G35-K37 PolarHBondContact O-N 3.15Å; G35-K37 VanDerWaalsContact O-N 3.09Å
36P47.3Very low52.2Low78 Ų7895.6 Ų95.651%0.50649%0.488SS..SBendtrans-49.3125.5-175.618-29.1000109.9R160P36-R160 HydrophobicContact CG-CG 4.35Å; P36-R160 PolarHBondContact O-NH2 3.08Å
37K41.5Very low52.7Low186 Ų18693 Ų9381%0.80948%0.477SS*.  trans-29.4132.8-169.7-70.6179.4179.7176.60111.9G35 F39 R160G35-K37 PolarHBondContact O-N 3.15Å; G35-K37 VanDerWaalsContact O-N 3.09Å; K37-F39 PolarHBondContact O-N 3.42Å; K37-R160 PolarHBondContact O-NH2 3.07Å
38P40.9Very low53.7Low110 Ų11086.9 Ų86.971%0.71446%0.458SS*.  trans-49.4114.7177.5-22.830.1000109R40P38-R40 PolarHBondContact O-N 2.72Å
39F39.1Very low54.9Low98 Ų9886.8 Ų86.843%0.4345%0.453SS..  trans-78.9112.4-177.8-137.1-92.4000106.5K37 S41 N45K37-F39 PolarHBondContact O-N 3.42Å; F39-S41 PolarHBondContact O-N 3.28Å; F39-N45 VanDerWaalsContact CE1-ND2 3.27Å; F39-N45 WeakPolarHBondContact CE1-ND2 3.18Å
40R39.1Very low56.7Low239 Ų23983.9 Ų83.990%0.90242%0.424SS*.SBendtrans-61123.7171.5-85.1-177.7-167.6-146.82.1107.6P38P38-R40 PolarHBondContact O-N 2.72Å
41S42.5Very low58.2Low81 Ų8180.1 Ų80.157%0.56640%0.404SS*.  trans7480.5-175.5-157.20000114.6F39 N43F39-S41 PolarHBondContact O-N 3.28Å; S41-N43 PolarHBondContact O-N 3.41Å
42Y52.3Low59.7Low66 Ų6676.5 Ų76.526%0.25938%0.38SS..G310 helixtrans-56.3-33.4170.1-80-69.8000111.5N44 N45 I157 W468Y42-N44 VanDerWaalsContact C-N 3.31Å; Y42-N44 PolarHBondContact O-N 2.89Å; Y42-N45 PolarHBondContact O-N 3.39Å; Y42-N45 VanDerWaalsContact O-N 3.09Å; Y42-I157 HydrophobicContact CD1-CD1 4.18Å; Y42-W468 VanDerWaalsContact CB-CZ2 3.48Å; Y42-W468 WeakPolarHBondContact O-CH2 3.39Å; Y42-W468 WeakPolarHBondContact O-CZ2 3.21Å
43N59.3Low61.1Low47 Ų4770.8 Ų70.825%0.25135%0.353SS..G310 helixtrans-61.3-25.9-154.4-124.954.5000117.3S41 P467 W468S41-N43 PolarHBondContact O-N 3.41Å; N43-P467 HydrophobicContact CB-CG 4.44Å; N43-P467 VanDerWaalsContact CG-CG 3.49Å; N43-P467 VanDerWaalsContact ND2-CB 3.27Å; N43-P467 WeakPolarHBondContact ND2-CB 3.27Å; N43-P467 VanDerWaalsContact ND2-CG 3.3Å; N43-P467 WeakPolarHBondContact ND2-CG 3.39Å; N43-P467 VanDerWaalsContact OD1-CD 3.24Å; N43-P467 WeakPolarHBondContact OD1-CD 3.22Å; N43-P467 WeakPolarHBondContact OD1-CG 3.37Å; N43-W468 VanDerWaalsContact CA-CH2 3.43Å; N43-W468 WeakPolarHBondContact O-CH2 3.32Å; N43-W468 PolarHBondContact OD1-NE1 3.27Å
44N63Low62.4Low80 Ų8078.5 Ų78.543%0.42839%0.389SS..G310 helixtrans-101.4-9.3-176.7-64.7-10.1000113.6Y42 E56 L57Y42-N44 VanDerWaalsContact C-N 3.31Å; Y42-N44 PolarHBondContact O-N 2.89Å; N44-E56 HydrophobicContact CB-CB 4.31Å; N44-E56 HydrophobicContact CB-CG 3.94Å; N44-E56 PolarHBondContact ND2-OE1 3.4Å; N44-L57 PolarHBondContact O-N 3.16Å
45N76.2Confident64Low7 Ų775.3 Ų75.34%0.03738%0.383CS..THydrogen-bonded Turntrans-108.4-5.8-169.7-71.617.6000113.5F39 Y42 H53 E56F39-N45 VanDerWaalsContact CE1-ND2 3.27Å; F39-N45 WeakPolarHBondContact CE1-ND2 3.18Å; Y42-N45 PolarHBondContact O-N 3.39Å; Y42-N45 VanDerWaalsContact O-N 3.09Å; N45-H53 WeakPolarHBondContact O-CB 3.47Å; N45-H53 PolarHBondContact O-CD2 3.19Å; N45-H53 PolarHBondContact O-N 2.65Å; N45-E56 WeakPolarHBondContact OD1-CA 3.45Å; N45-E56 VanDerWaalsContact OD1-CG 3.27Å; N45-E56 WeakPolarHBondContact OD1-CG 3.41Å; N45-E56 PolarHBondContact OD1-N 3.22Å
46V78.7Confident65.4Low11 Ų1180.8 Ų80.87%0.06741%0.405CS..BIsolated β-bridgetrans-109.2131.6-177.8-164.50000109.7G50 I51 V52 L57 I157 W468V46-G50 VanDerWaalsContact CG1-CA 3.46Å; V46-G50 WeakPolarHBondContact CG1-O 3.26Å; V46-I51 CarbonylContact C-O 3.6Å; V46-I51 VanDerWaalsContact CA-O 3.25Å; V46-I51 WeakPolarHBondContact CA-O 3.24Å; V46-I51 WeakPolarHBondContact CG1-O 3.27Å; V46-V52 HydrophobicContact CG1-CG2 4.33Å; V46-V52 HydrophobicContact CG2-CB 4.38Å; V46-V52 HydrophobicContact CG2-CG1 4.35Å; V46-V52 HydrophobicContact CG2-CG2 3.92Å; V46-L57 VanDerWaalsContact C-CD1 3.5Å; V46-I157 HydrophobicContact CG2-CD1 4.4Å; V46-W468 HydrophobicContact CB-CH2 3.17Å; V46-W468 HydrophobicContact CB-CZ2 3.71Å; V46-W468 HydrophobicContact CB-CZ3 3.73Å; V46-W468 HydrophobicContact CG1-CH2 4.34Å; V46-W468 HydrophobicContact CG2-CH2 3.39Å; V46-W468 HydrophobicContact CG2-CZ2 3.42Å; V46-W468 VanDerWaalsContact CG2-CZ2 3.42Å; V46-W468 HydrophobicContact CG2-CZ3 4.37Å
47D77.5Confident66.7Low38 Ų3879.9 Ų79.920%0.20340%0.396CS..  trans-74.6172.4178.577.54.9000112.1L49 G50 I51 H53 L57D47-L49 PolarHBondContact O-N 3.5Å; D47-L49 WeakPolarHBondContact OD1-CA 3.34Å; D47-L49 WeakPolarHBondContact OD1-CB 3.33Å; D47-L49 PolarHBondContact OD1-N 3.22Å; D47-G50 PolarHBondContact O-N 3.33Å; D47-G50 PolarHBondContact OD1-N 3.31Å; D47-I51 PolarHBondContact N-O 3.34Å; D47-I51 WeakPolarHBondContact OD1-CB 3.32Å; D47-I51 PolarHBondContact OD1-N 3.11Å; D47-H53 IonicContact OD2-NE2 3.93Å; D47-L57 HydrophobicContact CB-CD1 3.83Å
48H77.4Confident68.4Low86 Ų8675.9 Ų75.940%0.39839%0.389SS..THydrogen-bonded Turntrans-61.5-10.7178.170.6-72.4000114.6M104H48-M104 WeakPolarHBondContact O-CE 3.35Å
49L78.4Confident70.1Confident22 Ų2276.4 Ų76.412%0.11539%0.392CS..THydrogen-bonded Turntrans-102.33.1176.4-61.6174.4000112.5D47 I51 M104 H156 L279 G280 L283D47-L49 PolarHBondContact O-N 3.5Å; D47-L49 WeakPolarHBondContact OD1-CA 3.34Å; D47-L49 WeakPolarHBondContact OD1-CB 3.33Å; D47-L49 PolarHBondContact OD1-N 3.22Å; L49-I51 HydrophobicContact CB-CG1 4.49Å; L49-M104 HydrophobicContact CD2-SD 4.34Å; L49-H156 PolarHBondContact O-CD2 2.93Å; L49-H156 VanDerWaalsContact O-CD2 3.28Å; L49-H156 PolarHBondContact O-NE2 3Å; L49-L279 HydrophobicContact CB-CD2 4.27Å; L49-L279 HydrophobicContact CD1-CB 4.37Å; L49-G280 VanDerWaalsContact CD1-N 3.32Å; L49-L283 HydrophobicContact CD2-CD1 4.3Å
50G82.8Confident71.8Confident13 Ų1376 Ų7613%0.13439%0.394CS..SBendtrans84.911.1-179.400000114.5V46 D47 H156 I157V46-G50 VanDerWaalsContact CG1-CA 3.46Å; V46-G50 WeakPolarHBondContact CG1-O 3.26Å; D47-G50 PolarHBondContact O-N 3.33Å; D47-G50 PolarHBondContact OD1-N 3.31Å; G50-H156 CarbonylContact O-C 3.56Å; G50-H156 WeakPolarHBondContact O-CA 3.26Å; G50-I157 PolarHBondContact O-N 3.38Å
51I82.9Confident73.7Confident29 Ų2967.8 Ų67.815%0.14937%0.371CS..BIsolated β-bridgetrans-83.2123.5177.1-56.7-59.4000110.4V46 D47 L49 H53 K155 H156 L279V46-I51 CarbonylContact C-O 3.6Å; V46-I51 VanDerWaalsContact CA-O 3.25Å; V46-I51 WeakPolarHBondContact CA-O 3.24Å; V46-I51 WeakPolarHBondContact CG1-O 3.27Å; D47-I51 PolarHBondContact N-O 3.34Å; D47-I51 WeakPolarHBondContact OD1-CB 3.32Å; D47-I51 PolarHBondContact OD1-N 3.11Å; L49-I51 HydrophobicContact CB-CG1 4.49Å; I51-H53 PolarHBondContact O-CD2 3.31Å; I51-H53 VanDerWaalsContact O-CD2 3.26Å; I51-K155 CarbonylContact C-O 3.45Å; I51-K155 WeakPolarHBondContact CA-O 3.42Å; I51-K155 HydrophobicContact CG2-CB 4.04Å; I51-H156 HydrophobicContact CD1-CB 4.1Å; I51-L279 HydrophobicContact CD1-CB 4.38Å; I51-L279 HydrophobicContact CD1-CD2 3.74Å; I51-L279 HydrophobicContact CG1-CD2 4.23Å
52V81.8Confident75.5Confident26 Ų2667.9 Ų67.916%0.15838%0.377CS..BIsolated β-bridgetrans-82.9129.2177.6-170.10000110.2V46 K155 I157V46-V52 HydrophobicContact CG1-CG2 4.33Å; V46-V52 HydrophobicContact CG2-CB 4.38Å; V46-V52 HydrophobicContact CG2-CG1 4.35Å; V46-V52 HydrophobicContact CG2-CG2 3.92Å; V52-K155 PolarHBondContact N-O 2.83Å; V52-I157 HydrophobicContact CG2-CB 4.05Å; V52-I157 HydrophobicContact CG2-CG1 4.47Å
53H79.3Confident76.7Confident72 Ų7271 Ų7133%0.33339%0.388SS..  trans-104.2152.4173.5-63.7-95.1000110.6N45 D47 I51 T55 L57N45-H53 WeakPolarHBondContact O-CB 3.47Å; N45-H53 PolarHBondContact O-CD2 3.19Å; N45-H53 PolarHBondContact O-N 2.65Å; D47-H53 IonicContact OD2-NE2 3.93Å; I51-H53 PolarHBondContact O-CD2 3.31Å; I51-H53 VanDerWaalsContact O-CD2 3.26Å; H53-T55 VanDerWaalsContact C-N 3.3Å; H53-L57 HydrophobicContact CB-CD2 4.34Å
54E77.8Confident77.6Confident177 Ų17773 Ų7383%0.82740%0.395SS*.SBendtrans-70.9-30.4177.1-66.917718000112
55T78.4Confident78.4Confident102 Ų10270.5 Ų70.563%0.62639%0.386SS*.SBendtrans-109.8155.2179.558.70000110.8H53 L57H53-T55 VanDerWaalsContact C-N 3.3Å; T55-L57 PolarHBondContact O-N 3.32Å
56E77.4Confident78.8Confident128 Ų12875.4 Ų75.460%0.59841%0.407SS*.PPolyproline II helixtrans-55136.7168.8-64.8-166.2143.100110.7N44 N45N44-E56 HydrophobicContact CB-CB 4.31Å; N44-E56 HydrophobicContact CB-CG 3.94Å; N44-E56 PolarHBondContact ND2-OE1 3.4Å; N45-E56 WeakPolarHBondContact OD1-CA 3.45Å; N45-E56 VanDerWaalsContact OD1-CG 3.27Å; N45-E56 WeakPolarHBondContact OD1-CG 3.41Å; N45-E56 PolarHBondContact OD1-N 3.22Å
57L74.4Confident78.9Confident60 Ų6077.9 Ų77.931%0.31442%0.418SS..PPolyproline II helixtrans-73.4140.4176.7-72.7173.2000109.6N44 V46 D47 H53 T55N44-L57 PolarHBondContact O-N 3.16Å; V46-L57 VanDerWaalsContact C-CD1 3.5Å; D47-L57 HydrophobicContact CB-CD1 3.83Å; H53-L57 HydrophobicContact CB-CD2 4.34Å; T55-L57 PolarHBondContact O-N 3.32Å
58P77.7Confident79Confident102 Ų10277.1 Ų77.166%0.66241%0.414SS*.PPolyproline II helixtrans-60.9155.317128.2-34.3000110.1L60P58-L60 PolarHBondContact O-N 3Å
59P75.7Confident79.3Confident120 Ų12080.9 Ų80.978%0.77942%0.424SS*.PPolyproline II helixtrans-52141.4172.8-25.133.5000111.3T61P59-T61 PolarHBondContact O-N 3.3Å; P59-T61 VanDerWaalsContact O-N 3.14Å
60L74.7Confident79.7Confident89 Ų8985.7 Ų85.747%0.46644%0.441SS..PPolyproline II helixtrans-50.2123.4178.8-75.8170.4000110.5P58 E64 I68P58-L60 PolarHBondContact O-N 3Å; L60-E64 HydrophobicContact CD2-CB 4.08Å; L60-I68 HydrophobicContact CD1-CD1 4.15Å; L60-I68 HydrophobicContact CD2-CD1 4.21Å
61T80.4Confident79.7Confident68 Ų6886.4 Ų86.442%0.41744%0.441SS..PPolyproline II helixtrans-65.1152.2175.664.30000109.9P59 R63 E64 A65P59-T61 PolarHBondContact O-N 3.3Å; P59-T61 VanDerWaalsContact O-N 3.14Å; T61-R63 PolarHBondContact O-N 3.43Å; T61-E64 WeakPolarHBondContact CB-OE2 2.93Å; T61-E64 WeakPolarHBondContact CG2-OE2 3.3Å; T61-E64 PolarHBondContact N-OE2 3.03Å; T61-E64 PolarHBondContact O-N 3.08Å; T61-E64 VanDerWaalsContact OG1-CG 3.28Å; T61-E64 WeakPolarHBondContact OG1-CG 3.31Å; T61-E64 PolarHBondContact OG1-N 2.9Å; T61-E64 PolarHBondContact OG1-OE2 3.06Å; T61-A65 PolarHBondContact O-N 3.35Å
62A80.3Confident79.6Confident83 Ų8388.9 Ų88.969%0.68645%0.453SS*.Hα-helixtrans-54.8-28.7175.900000112.7K66A62-K66 WeakPolarHBondContact O-CB 3.47Å; A62-K66 PolarHBondContact O-N 3.2Å
63R77.9Confident79.9Confident130 Ų13091.2 Ų91.249%0.49147%0.471SS..Hα-helixtrans-69.7-47.6175.2-175.4178.1174.7-170.6-6.3112T61 K66 Q67 R334 D335T61-R63 PolarHBondContact O-N 3.43Å; R63-K66 WeakPolarHBondContact O-CB 3.11Å; R63-K66 PolarHBondContact O-N 3.4Å; R63-Q67 PolarHBondContact O-N 3.13Å; R63-R334 PolarHBondContact NH2-O 3.08Å; R63-D335 IonicContact NH2-OD1 2.99Å; R63-D335 PolarHBondContact NH2-OD1 3.49Å
64E77.4Confident80.3Confident89 Ų8990.2 Ų90.242%0.41647%0.465SS..Hα-helixtrans-64.1-46.6177.3-72156.6159.400110.9L60 T61 K66 Q67 I68L60-E64 HydrophobicContact CD2-CB 4.08Å; T61-E64 WeakPolarHBondContact CB-OE2 2.93Å; T61-E64 WeakPolarHBondContact CG2-OE2 3.3Å; T61-E64 PolarHBondContact N-OE2 3.03Å; T61-E64 PolarHBondContact O-N 3.08Å; T61-E64 VanDerWaalsContact OG1-CG 3.28Å; T61-E64 WeakPolarHBondContact OG1-CG 3.31Å; T61-E64 PolarHBondContact OG1-N 2.9Å; T61-E64 PolarHBondContact OG1-OE2 3.06Å; E64-K66 PolarHBondContact O-N 3.19Å; E64-Q67 WeakPolarHBondContact O-CA 3.39Å; E64-Q67 WeakPolarHBondContact O-CB 3.1Å; E64-Q67 PolarHBondContact O-N 2.94Å; E64-I68 WeakPolarHBondContact O-CG1 3.06Å; E64-I68 PolarHBondContact O-N 3.46Å
65A79.8Confident80.9Confident28 Ų2885 Ų8523%0.23144%0.439CS..Hα-helixtrans-59.8-34.4175.100000112.4T61 R69T61-A65 PolarHBondContact O-N 3.35Å; A65-R69 WeakPolarHBondContact O-CB 3.14Å; A65-R69 VanDerWaalsContact O-CG 3.32Å; A65-R69 WeakPolarHBondContact O-CG 3.36Å; A65-R69 PolarHBondContact O-N 2.56Å; A65-R69 VanDerWaalsContact O-N 3.15Å; A65-R69 PolarHBondContact O-NE 2.7Å
66K84.6Confident81.4Confident111 Ų11183.3 Ų83.348%0.48343%0.431SS..Hα-helixtrans-70.1-36.3173.2-174.7177.1-172.11750111.8A62 R63 E64 R70A62-K66 WeakPolarHBondContact O-CB 3.47Å; A62-K66 PolarHBondContact O-N 3.2Å; R63-K66 WeakPolarHBondContact O-CB 3.11Å; R63-K66 PolarHBondContact O-N 3.4Å; E64-K66 PolarHBondContact O-N 3.19Å; K66-R70 WeakPolarHBondContact O-CB 3.42Å; K66-R70 WeakPolarHBondContact O-CD 3.32Å; K66-R70 VanDerWaalsContact O-CG 3.22Å; K66-R70 WeakPolarHBondContact O-CG 3.32Å; K66-R70 PolarHBondContact O-N 3.49Å
67Q80.8Confident82.1Confident62 Ų6281.9 Ų81.929%0.2942%0.423SS..Hα-helixtrans-66.9-47.6175.6-179.2171.6-12.800111.5R63 E64 R69 R70 E71R63-Q67 PolarHBondContact O-N 3.13Å; E64-Q67 WeakPolarHBondContact O-CA 3.39Å; E64-Q67 WeakPolarHBondContact O-CB 3.1Å; E64-Q67 PolarHBondContact O-N 2.94Å; Q67-R69 VanDerWaalsContact C-N 3.33Å; Q67-R69 PolarHBondContact O-N 3.48Å; Q67-R70 CarbonylContact O-C 3.56Å; Q67-R70 WeakPolarHBondContact O-CA 3.43Å; Q67-R70 WeakPolarHBondContact O-CB 3.37Å; Q67-R70 PolarHBondContact O-N 3.47Å; Q67-E71 PolarHBondContact NE2-OE1 3.42Å; Q67-E71 PolarHBondContact O-N 2.89Å
68I79.7Confident83Confident22 Ų2279 Ų7911%0.11341%0.408CS..Hα-helixtrans-57.3-47.2176.3-66.2167.5000110.4L60 E64 R70 E71 I72L60-I68 HydrophobicContact CD1-CD1 4.15Å; L60-I68 HydrophobicContact CD2-CD1 4.21Å; E64-I68 WeakPolarHBondContact O-CG1 3.06Å; E64-I68 PolarHBondContact O-N 3.46Å; I68-R70 VanDerWaalsContact C-N 3.32Å; I68-R70 PolarHBondContact O-N 3.33Å; I68-E71 PolarHBondContact O-N 2.95Å; I68-E71 VanDerWaalsContact O-N 3.11Å; I68-I72 HydrophobicContact CG2-CD1 3.83Å; I68-I72 HydrophobicContact CG2-CG1 4.48Å; I68-I72 WeakPolarHBondContact O-CG1 3.48Å; I68-I72 PolarHBondContact O-N 3.07Å
69R84.4Confident83.7Confident165 Ų16576.3 Ų76.362%0.62339%0.39SS*.Hα-helixtrans-58.9-40.8174.6-76.5-176.9-78.9177.9-8.4112.9A65 Q67 I72 S73A65-R69 WeakPolarHBondContact O-CB 3.14Å; A65-R69 VanDerWaalsContact O-CG 3.32Å; A65-R69 WeakPolarHBondContact O-CG 3.36Å; A65-R69 PolarHBondContact O-N 2.56Å; A65-R69 VanDerWaalsContact O-N 3.15Å; A65-R69 PolarHBondContact O-NE 2.7Å; Q67-R69 VanDerWaalsContact C-N 3.33Å; Q67-R69 PolarHBondContact O-N 3.48Å; R69-I72 PolarHBondContact O-N 3.04Å; R69-S73 WeakPolarHBondContact O-CB 3.42Å; R69-S73 PolarHBondContact O-N 3.08Å; R69-S73 PolarHBondContact O-OG 2.83Å
70R85.9Confident84.5Confident124 Ų12475.3 Ų75.347%0.46838%0.378SS..Hα-helixtrans-64.9-37.1175.1-76.8168.2172.5-174-3.4112.3K66 Q67 I68 S73 R74K66-R70 WeakPolarHBondContact O-CB 3.42Å; K66-R70 WeakPolarHBondContact O-CD 3.32Å; K66-R70 VanDerWaalsContact O-CG 3.22Å; K66-R70 WeakPolarHBondContact O-CG 3.32Å; K66-R70 PolarHBondContact O-N 3.49Å; Q67-R70 CarbonylContact O-C 3.56Å; Q67-R70 WeakPolarHBondContact O-CA 3.43Å; Q67-R70 WeakPolarHBondContact O-CB 3.37Å; Q67-R70 PolarHBondContact O-N 3.47Å; I68-R70 VanDerWaalsContact C-N 3.32Å; I68-R70 PolarHBondContact O-N 3.33Å; R70-S73 WeakPolarHBondContact CA-OG 3.14Å; R70-S73 PolarHBondContact O-OG 2.81Å; R70-R74 WeakPolarHBondContact O-CD 3.22Å; R70-R74 VanDerWaalsContact O-CG 3.25Å; R70-R74 WeakPolarHBondContact O-CG 3.5Å; R70-R74 PolarHBondContact O-N 3.48Å
71E82.7Confident85.4Confident27 Ų2771.4 Ų71.413%0.12636%0.357CS..Hα-helixtrans-67.3-47.4175.2-71.9176.7-168.300111Q67 I68 S73 R74 P103Q67-E71 PolarHBondContact NE2-OE1 3.42Å; Q67-E71 PolarHBondContact O-N 2.89Å; I68-E71 PolarHBondContact O-N 2.95Å; I68-E71 VanDerWaalsContact O-N 3.11Å; E71-S73 PolarHBondContact O-N 3.42Å; E71-R74 WeakPolarHBondContact O-CB 3.27Å; E71-R74 PolarHBondContact O-N 2.98Å; E71-P103 WeakPolarHBondContact O-CG 3.14Å
72I81Confident86Confident81 Ų8170.1 Ų70.142%0.41535%0.347SS..Hα-helixtrans-58.9-47177.7-66.3168.1000110.9I68 R69 R74 K75 Y472I68-I72 HydrophobicContact CG2-CD1 3.83Å; I68-I72 HydrophobicContact CG2-CG1 4.48Å; I68-I72 WeakPolarHBondContact O-CG1 3.48Å; I68-I72 PolarHBondContact O-N 3.07Å; R69-I72 PolarHBondContact O-N 3.04Å; I72-R74 PolarHBondContact O-N 3.39Å; I72-K75 WeakPolarHBondContact O-CB 3.45Å; I72-K75 PolarHBondContact O-N 3.23Å; I72-Y472 HydrophobicContact CG1-CE1 4.4Å
73S87Confident86.5Confident76 Ų7669.7 Ų69.753%0.53135%0.351SS..THydrogen-bonded Turntrans-62.5-15.917866.20000114.6R69 R70 E71R69-S73 WeakPolarHBondContact O-CB 3.42Å; R69-S73 PolarHBondContact O-N 3.08Å; R69-S73 PolarHBondContact O-OG 2.83Å; R70-S73 WeakPolarHBondContact CA-OG 3.14Å; R70-S73 PolarHBondContact O-OG 2.81Å; E71-S73 PolarHBondContact O-N 3.42Å
74R89.3Confident87.2Confident51 Ų5166.7 Ų66.719%0.19235%0.345CS..THydrogen-bonded Turntrans-84.8-16.7175.3-70163.7-178.6-179.6-1.9112.4R70 E71 I72 S76 K77 W78 K100 P103R70-R74 WeakPolarHBondContact O-CD 3.22Å; R70-R74 VanDerWaalsContact O-CG 3.25Å; R70-R74 WeakPolarHBondContact O-CG 3.5Å; R70-R74 PolarHBondContact O-N 3.48Å; E71-R74 WeakPolarHBondContact O-CB 3.27Å; E71-R74 PolarHBondContact O-N 2.98Å; I72-R74 PolarHBondContact O-N 3.39Å; R74-S76 PolarHBondContact O-N 3.31Å; R74-K77 PolarHBondContact O-N 3.4Å; R74-W78 VanDerWaalsContact O-CD1 3.23Å; R74-W78 PolarHBondContact O-N 3.41Å; R74-K100 PolarHBondContact NH1-O 3.44Å; R74-P103 HydrophobicContact CB-CG 4.15Å
75K89.2Confident87.8Confident68 Ų6864.3 Ų64.330%0.29633%0.332SS..Hα-helixtrans-50.3-52.4-176-175-169.9179.9-1760112.2I72 K77 W78 V79 N105 I106I72-K75 WeakPolarHBondContact O-CB 3.45Å; I72-K75 PolarHBondContact O-N 3.23Å; K75-K77 VanDerWaalsContact C-N 3.3Å; K75-K77 PolarHBondContact O-N 3.43Å; K75-W78 WeakPolarHBondContact O-CB 3.48Å; K75-W78 PolarHBondContact O-N 2.93Å; K75-V79 HydrophobicContact CG-CG2 4.28Å; K75-V79 WeakPolarHBondContact O-CG2 3.44Å; K75-V79 PolarHBondContact O-N 3.04Å; K75-N105 WeakPolarHBondContact CE-ND2 3.38Å; K75-I106 HydrophobicContact CG-CD1 4.07Å; K75-I106 HydrophobicContact CG-CG1 4.25Å
76S90Very high88.3Confident65 Ų6569.2 Ų69.246%0.45535%0.35SS..Hα-helixtrans-52-48.8-177.252.50000112.2R74 W78 V79 D80R74-S76 PolarHBondContact O-N 3.31Å; S76-W78 PolarHBondContact O-N 3.48Å; S76-V79 WeakPolarHBondContact O-CB 3.23Å; S76-V79 PolarHBondContact O-N 3.31Å; S76-D80 PolarHBondContact O-N 3.42Å
77K92.5Very high88.6Confident98 Ų9870 Ų7043%0.42635%0.353SS..Hα-helixtrans-63.7-29-179.6-63.7175.3-179.2163.70113.4R74 K75 M81R74-K77 PolarHBondContact O-N 3.4Å; K75-K77 VanDerWaalsContact C-N 3.3Å; K75-K77 PolarHBondContact O-N 3.43Å; K77-M81 WeakPolarHBondContact O-CG 3.39Å; K77-M81 PolarHBondContact O-N 3.43Å
78W93.1Very high89.1Confident1 Ų168.8 Ų68.80%0.00435%0.347CS..Hα-helixtrans-78-37.9174.6-75103.9000111.8R74 K75 S76 D80 M81 L82 L94 R97 A98 M102 I106 M110R74-W78 VanDerWaalsContact O-CD1 3.23Å; R74-W78 PolarHBondContact O-N 3.41Å; K75-W78 WeakPolarHBondContact O-CB 3.48Å; K75-W78 PolarHBondContact O-N 2.93Å; S76-W78 PolarHBondContact O-N 3.48Å; W78-D80 VanDerWaalsContact C-N 3.33Å; W78-M81 HydrophobicContact CB-CE 4.47Å; W78-M81 HydrophobicContact CD2-CE 3.56Å; W78-M81 HydrophobicContact CE3-CE 3.24Å; W78-M81 HydrophobicContact CG-CE 4.09Å; W78-M81 HydrophobicContact CH2-CE 4.48Å; W78-M81 HydrophobicContact CZ3-CE 3.77Å; W78-M81 PolarHBondContact O-N 2.8Å; W78-L82 PolarHBondContact O-N 3.26Å; W78-L94 HydrophobicContact CZ3-CD1 3.87Å; W78-R97 HydrophobicContact CH2-CB 3.97Å; W78-R97 HydrophobicContact CZ2-CB 3.73Å; W78-A98 HydrophobicContact CH2-CB 4.46Å; W78-M102 HydrophobicContact CD2-CG 4.25Å; W78-M102 HydrophobicContact CE3-CG 4.38Å; W78-M102 HydrophobicContact CH2-CB 4.29Å; W78-M102 HydrophobicContact CH2-CE 3.8Å; W78-M102 HydrophobicContact CH2-CG 4.09Å; W78-M102 HydrophobicContact CZ2-CB 3.97Å; W78-M102 HydrophobicContact CZ2-CG 3.97Å; W78-M102 HydrophobicContact CZ3-CE 3.91Å; W78-M102 HydrophobicContact CZ3-CG 4.3Å; W78-I106 HydrophobicContact CB-CB 4.46Å; W78-I106 HydrophobicContact CB-CG1 4.11Å; W78-I106 HydrophobicContact CB-CG2 3.68Å; W78-I106 HydrophobicContact CD2-CG2 4.29Å; W78-I106 HydrophobicContact CE3-CG2 4.37Å; W78-I106 HydrophobicContact CG-CG2 4.05Å; W78-M110 HydrophobicContact CE3-CE 3.49Å; W78-M110 VanDerWaalsContact CE3-CE 3.49Å; W78-M110 HydrophobicContact CE3-SD 4.43Å; W78-M110 HydrophobicContact CZ3-CE 3.8Å; W78-M110 HydrophobicContact CZ3-CG 4.17Å; W78-M110 HydrophobicContact CZ3-SD 4.14Å
79V92.4Very high89.4Confident45 Ų4571.2 Ų71.227%0.27336%0.356SS..Hα-helixtrans-61-43.8172.1176.30000110.3K75 S76 M81 L82 G83 I106K75-V79 HydrophobicContact CG-CG2 4.28Å; K75-V79 WeakPolarHBondContact O-CG2 3.44Å; K75-V79 PolarHBondContact O-N 3.04Å; S76-V79 WeakPolarHBondContact O-CB 3.23Å; S76-V79 PolarHBondContact O-N 3.31Å; V79-M81 VanDerWaalsContact C-N 3.27Å; V79-M81 PolarHBondContact O-N 2.87Å; V79-L82 WeakPolarHBondContact O-CB 3.35Å; V79-L82 PolarHBondContact O-N 3.01Å; V79-L82 VanDerWaalsContact O-N 3.13Å; V79-G83 PolarHBondContact O-N 2.99Å; V79-I106 HydrophobicContact CG2-CD1 3.85Å
80D92.4Very high89.4Confident99 Ų9968.6 Ų68.653%0.52936%0.363SS..Hα-helixtrans-59.3-38.2175.6-58.1-23.5000112.1S76 W78 D84S76-D80 PolarHBondContact O-N 3.42Å; W78-D80 VanDerWaalsContact C-N 3.33Å; D80-D84 PolarHBondContact O-N 2.97Å
81M93.3Very high89.6Confident7 Ų763.8 Ų63.83%0.03435%0.348CS..Hα-helixtrans-72.3-33.4177.4-72.7-174.3-57.100112.6K77 W78 V79 D84 W85 Y88 R97K77-M81 WeakPolarHBondContact O-CG 3.39Å; K77-M81 PolarHBondContact O-N 3.43Å; W78-M81 HydrophobicContact CB-CE 4.47Å; W78-M81 HydrophobicContact CD2-CE 3.56Å; W78-M81 HydrophobicContact CE3-CE 3.24Å; W78-M81 HydrophobicContact CG-CE 4.09Å; W78-M81 HydrophobicContact CH2-CE 4.48Å; W78-M81 HydrophobicContact CZ3-CE 3.77Å; W78-M81 PolarHBondContact O-N 2.8Å; V79-M81 VanDerWaalsContact C-N 3.27Å; V79-M81 PolarHBondContact O-N 2.87Å; M81-D84 CarbonylContact O-C 3.56Å; M81-W85 WeakPolarHBondContact O-CA 3.5Å; M81-W85 PolarHBondContact O-N 2.81Å; M81-Y88 HydrophobicContact CB-CD2 4.08Å; M81-Y88 HydrophobicContact CB-CG 4.12Å; M81-Y88 HydrophobicContact CG-CD1 3.88Å; M81-Y88 HydrophobicContact CG-CD2 3.99Å; M81-Y88 HydrophobicContact CG-CE1 4.12Å; M81-Y88 HydrophobicContact CG-CE2 4.23Å; M81-Y88 HydrophobicContact CG-CG 3.82Å; M81-Y88 HydrophobicContact SD-CD1 4.31Å; M81-R97 HydrophobicContact CE-CB 4.03Å; M81-R97 HydrophobicContact CE-CG 3.95Å; M81-R97 HydrophobicContact SD-CG 4.25Å
82L92.1Very high90Very high40 Ų4072.1 Ų72.121%0.20938%0.379CS..Hα-helixtrans-67.8-38.1173.8-77.9168.3000111.7W78 V79 D84 I106 P109 M110 V113W78-L82 PolarHBondContact O-N 3.26Å; V79-L82 WeakPolarHBondContact O-CB 3.35Å; V79-L82 PolarHBondContact O-N 3.01Å; V79-L82 VanDerWaalsContact O-N 3.13Å; L82-D84 VanDerWaalsContact C-N 3.28Å; L82-D84 PolarHBondContact O-N 3.09Å; L82-I106 HydrophobicContact CD1-CG2 4.44Å; L82-P109 HydrophobicContact CD1-CB 3.94Å; L82-M110 HydrophobicContact CD1-CE 4.27Å; L82-M110 HydrophobicContact CD2-CE 3.62Å; L82-M110 HydrophobicContact CD2-SD 4.41Å; L82-M110 HydrophobicContact CG-CE 3.64Å; L82-V113 HydrophobicContact CD2-CG1 4.19Å; L82-V113 HydrophobicContact CD2-CG2 3.73Å
83G91.3Very high90.5Very high74 Ų7474.5 Ų74.576%0.76339%0.386SS*.Hα-helixtrans-65.5-27.2179.300000114.4V79V79-G83 PolarHBondContact O-N 2.99Å
84D91.6Very high90.8Very high67 Ų6771 Ų7136%0.35836%0.362SS..THydrogen-bonded Turntrans-125.449178.9-167.8-0.6000110.2D80 M81 L82 E86 K87 Y88D80-D84 PolarHBondContact O-N 2.97Å; M81-D84 CarbonylContact O-C 3.56Å; L82-D84 VanDerWaalsContact C-N 3.28Å; L82-D84 PolarHBondContact O-N 3.09Å; D84-E86 VanDerWaalsContact C-N 3.26Å; D84-E86 PolarHBondContact O-N 3.42Å; D84-K87 WeakPolarHBondContact O-CB 3.41Å; D84-K87 PolarHBondContact O-N 2.86Å; D84-K87 VanDerWaalsContact O-N 3.14Å; D84-K87 VanDerWaalsContact OD1-CB 3.27Å; D84-K87 WeakPolarHBondContact OD1-CB 3.42Å; D84-K87 WeakPolarHBondContact OD2-CD 3.22Å; D84-K87 IonicContact OD2-NZ 3.5Å; D84-K87 PolarHBondContact OD2-NZ 3.09Å; D84-Y88 HydrophobicContact CB-CD2 4.11Å; D84-Y88 HydrophobicContact CB-CE2 4.02Å; D84-Y88 WeakPolarHBondContact O-CD2 3.25Å; D84-Y88 PolarHBondContact O-N 3.08Å
85W91.5Very high90.9Very high40 Ų4070.9 Ų70.915%0.15236%0.364CS..Hα-helixtrans-55.6-39.6-171.6178.7-123000113.1M81 K87 Y88 K89 L94 M110 V113 L114M81-W85 WeakPolarHBondContact O-CA 3.5Å; M81-W85 PolarHBondContact O-N 2.81Å; W85-K87 VanDerWaalsContact C-N 3.25Å; W85-K87 PolarHBondContact O-N 2.76Å; W85-Y88 PolarHBondContact O-N 2.9Å; W85-K89 HydrophobicContact CD2-CB 4.07Å; W85-K89 HydrophobicContact CE3-CB 4.46Å; W85-K89 HydrophobicContact CH2-CB 4.16Å; W85-K89 HydrophobicContact CZ2-CB 3.75Å; W85-K89 HydrophobicContact CZ3-CB 4.5Å; W85-K89 WeakPolarHBondContact O-CB 3.27Å; W85-K89 PolarHBondContact O-N 3.44Å; W85-L94 HydrophobicContact CH2-CD2 3.69Å; W85-L94 HydrophobicContact CZ3-CD1 4.2Å; W85-L94 HydrophobicContact CZ3-CD2 3.81Å; W85-M110 HydrophobicContact CH2-SD 4.23Å; W85-M110 HydrophobicContact CZ3-SD 3.87Å; W85-V113 HydrophobicContact CD2-CB 4.12Å; W85-V113 HydrophobicContact CD2-CG2 3.89Å; W85-V113 HydrophobicContact CE3-CG2 4.04Å; W85-V113 HydrophobicContact CG-CB 4.35Å; W85-V113 HydrophobicContact CH2-CG2 4.03Å; W85-V113 HydrophobicContact CZ2-CB 4.17Å; W85-V113 HydrophobicContact CZ2-CG2 3.85Å; W85-V113 HydrophobicContact CZ3-CG2 4.12Å; W85-L114 HydrophobicContact CH2-CD2 3.64Å; W85-L114 HydrophobicContact CH2-CG 4.11Å; W85-L114 HydrophobicContact CZ2-CD2 4.13Å
86E89.9Confident91.1Very high130 Ų13070 Ų7061%0.60736%0.363SS*.Hα-helixtrans-58.4-35.9-179.3-75-61.6108.600113.1D84 K89D84-E86 VanDerWaalsContact C-N 3.26Å; D84-E86 PolarHBondContact O-N 3.42Å; E86-K89 IonicContact OE1-NZ 4Å; E86-K89 PolarHBondContact OE1-NZ 2.89Å; E86-K89 WeakPolarHBondContact OE2-CE 3.33Å; E86-K89 IonicContact OE2-NZ 3.65Å; E86-K89 PolarHBondContact OE2-NZ 3.48Å
87K91.3Very high91.3Very high128 Ų12869.9 Ų69.956%0.55735%0.352SS*.Hα-helixtrans-75.9-36.1174.6178.6-174.6-177.7174.80112.7D84 W85D84-K87 WeakPolarHBondContact O-CB 3.41Å; D84-K87 PolarHBondContact O-N 2.86Å; D84-K87 VanDerWaalsContact O-N 3.14Å; D84-K87 VanDerWaalsContact OD1-CB 3.27Å; D84-K87 WeakPolarHBondContact OD1-CB 3.42Å; D84-K87 WeakPolarHBondContact OD2-CD 3.22Å; D84-K87 IonicContact OD2-NZ 3.5Å; D84-K87 PolarHBondContact OD2-NZ 3.09Å; W85-K87 VanDerWaalsContact C-N 3.25Å; W85-K87 PolarHBondContact O-N 2.76Å
88Y90.1Very high91.3Very high37 Ų3765.2 Ų65.215%0.14533%0.332CS..Hα-helixtrans-92-21.4-171.2-72.5-71.7000114.8M81 D84 W85 S90 S91 K93M81-Y88 HydrophobicContact CB-CD2 4.08Å; M81-Y88 HydrophobicContact CB-CG 4.12Å; M81-Y88 HydrophobicContact CG-CD1 3.88Å; M81-Y88 HydrophobicContact CG-CD2 3.99Å; M81-Y88 HydrophobicContact CG-CE1 4.12Å; M81-Y88 HydrophobicContact CG-CE2 4.23Å; M81-Y88 HydrophobicContact CG-CG 3.82Å; M81-Y88 HydrophobicContact SD-CD1 4.31Å; D84-Y88 HydrophobicContact CB-CD2 4.11Å; D84-Y88 HydrophobicContact CB-CE2 4.02Å; D84-Y88 WeakPolarHBondContact O-CD2 3.25Å; D84-Y88 PolarHBondContact O-N 3.08Å; W85-Y88 PolarHBondContact O-N 2.9Å; Y88-S90 PolarHBondContact O-N 3.21Å; Y88-S90 VanDerWaalsContact O-N 3.13Å; Y88-S91 VanDerWaalsContact O-CB 3.25Å; Y88-S91 WeakPolarHBondContact O-CB 3.43Å; Y88-S91 PolarHBondContact O-N 2.95Å; Y88-S91 PolarHBondContact O-OG 3.23Å; Y88-K93 HydrophobicContact CD1-CB 4.47Å; Y88-K93 HydrophobicContact CD1-CD 4.5Å; Y88-K93 HydrophobicContact CE1-CD 3.9Å
89K87.1Confident91.3Very high73 Ų7365.7 Ų65.732%0.31733%0.334SS..THydrogen-bonded Turntrans-54.4-34.8-173.465.8-176.5173.8-172.30114.7W85 E86W85-K89 HydrophobicContact CD2-CB 4.07Å; W85-K89 HydrophobicContact CE3-CB 4.46Å; W85-K89 HydrophobicContact CH2-CB 4.16Å; W85-K89 HydrophobicContact CZ2-CB 3.75Å; W85-K89 HydrophobicContact CZ3-CB 4.5Å; W85-K89 WeakPolarHBondContact O-CB 3.27Å; W85-K89 PolarHBondContact O-N 3.44Å; E86-K89 IonicContact OE1-NZ 4Å; E86-K89 PolarHBondContact OE1-NZ 2.89Å; E86-K89 WeakPolarHBondContact OE2-CE 3.33Å; E86-K89 IonicContact OE2-NZ 3.65Å; E86-K89 PolarHBondContact OE2-NZ 3.48Å
90S84.1Confident91.2Very high109 Ų10967.5 Ų67.576%0.76234%0.338SS*.THydrogen-bonded Turntrans-107.911.6177.4-55.80000112.9Y88Y88-S90 PolarHBondContact O-N 3.21Å; Y88-S90 VanDerWaalsContact O-N 3.13Å
91S89.8Confident91.1Very high23 Ų2363.1 Ų63.116%0.16132%0.316CS..  trans-82.9141-173.277.30000111.9Y88 K93 L94Y88-S91 VanDerWaalsContact O-CB 3.25Å; Y88-S91 WeakPolarHBondContact O-CB 3.43Å; Y88-S91 PolarHBondContact O-N 2.95Å; Y88-S91 PolarHBondContact O-OG 3.23Å; S91-K93 PolarHBondContact O-N 3.21Å; S91-K93 VanDerWaalsContact O-N 3.13Å; S91-L94 WeakPolarHBondContact O-CB 3.3Å; S91-L94 PolarHBondContact O-N 3.46Å; S91-L94 VanDerWaalsContact O-N 3.13Å; S91-L94 PolarHBondContact OG-N 3.06Å
92R90.7Very high91.1Very high202 Ų20262.9 Ų62.976%0.76232%0.315SS*.Hα-helixtrans-58.9-25.2168.6-171.4178.5-70.4171.3-1.3112.2L94 I95 D96R92-L94 VanDerWaalsContact C-N 3.34Å; R92-L94 PolarHBondContact O-N 3.28Å; R92-I95 PolarHBondContact O-N 3.24Å; R92-D96 VanDerWaalsContact O-CB 3.32Å; R92-D96 WeakPolarHBondContact O-CB 3.32Å; R92-D96 PolarHBondContact O-N 2.9Å
93K92.7Very high91Very high132 Ų13261 Ų6157%0.57431%0.305SS*.Hα-helixtrans-61.4-41.8176.7-71.8179.3177.4177.30111.5Y88 S91 D96 R97Y88-K93 HydrophobicContact CD1-CB 4.47Å; Y88-K93 HydrophobicContact CD1-CD 4.5Å; Y88-K93 HydrophobicContact CE1-CD 3.9Å; S91-K93 PolarHBondContact O-N 3.21Å; S91-K93 VanDerWaalsContact O-N 3.13Å; K93-D96 PolarHBondContact O-N 3.16Å; K93-R97 WeakPolarHBondContact O-CB 3.35Å; K93-R97 WeakPolarHBondContact O-CG 3.11Å; K93-R97 PolarHBondContact O-N 3.17Å
94L92.7Very high90.7Very high3 Ų359.2 Ų59.22%0.01628%0.277CS..Hα-helixtrans-60.7-52.4176.4176.663.5000110.9W78 W85 S91 R92 D96 R97 A98 M110 L114 V291W78-L94 HydrophobicContact CZ3-CD1 3.87Å; W85-L94 HydrophobicContact CH2-CD2 3.69Å; W85-L94 HydrophobicContact CZ3-CD1 4.2Å; W85-L94 HydrophobicContact CZ3-CD2 3.81Å; S91-L94 WeakPolarHBondContact O-CB 3.3Å; S91-L94 PolarHBondContact O-N 3.46Å; S91-L94 VanDerWaalsContact O-N 3.13Å; S91-L94 PolarHBondContact OG-N 3.06Å; R92-L94 VanDerWaalsContact C-N 3.34Å; R92-L94 PolarHBondContact O-N 3.28Å; L94-D96 VanDerWaalsContact C-N 3.34Å; L94-D96 PolarHBondContact O-N 3.38Å; L94-R97 WeakPolarHBondContact O-CB 3.24Å; L94-R97 PolarHBondContact O-N 3.06Å; L94-R97 VanDerWaalsContact O-N 3.07Å; L94-A98 PolarHBondContact O-N 2.86Å; L94-M110 HydrophobicContact CD1-SD 4.24Å; L94-L114 HydrophobicContact CD2-CD2 4.35Å; L94-V291 HydrophobicContact CD2-CG1 4.29Å; L94-V291 HydrophobicContact CG-CG1 4.06Å; L94-V291 HydrophobicContact CG-CG2 4.4Å
95I92Very high90.4Very high48 Ų4858.3 Ų58.325%0.24627%0.272CS..Hα-helixtrans-54.1-52177-58.8174.7000110.1R92 R97 A98 Y99 V291 E292R92-I95 PolarHBondContact O-N 3.24Å; I95-R97 PolarHBondContact O-N 3.15Å; I95-R97 VanDerWaalsContact O-N 3.15Å; I95-A98 WeakPolarHBondContact O-CB 3.41Å; I95-A98 PolarHBondContact O-N 2.99Å; I95-A98 VanDerWaalsContact O-N 3.13Å; I95-Y99 HydrophobicContact CG2-CD2 3.99Å; I95-Y99 HydrophobicContact CG2-CE2 3.64Å; I95-Y99 VanDerWaalsContact O-CD2 3.25Å; I95-Y99 WeakPolarHBondContact O-CD2 3.38Å; I95-Y99 PolarHBondContact O-N 3.2Å; I95-V291 HydrophobicContact CB-CG1 4.41Å; I95-V291 HydrophobicContact CG1-CG1 3.85Å; I95-E292 HydrophobicContact CG2-CG 4.45Å; I95-E292 WeakPolarHBondContact CG2-OE1 3.2Å
96D92.9Very high90.4Very high49 Ų4956.7 Ų56.726%0.26227%0.267SS..Hα-helixtrans-60.1-28.5-179.3-84.224.6000114R92 K93 L94 K100 R344R92-D96 VanDerWaalsContact O-CB 3.32Å; R92-D96 WeakPolarHBondContact O-CB 3.32Å; R92-D96 PolarHBondContact O-N 2.9Å; K93-D96 PolarHBondContact O-N 3.16Å; L94-D96 VanDerWaalsContact C-N 3.34Å; L94-D96 PolarHBondContact O-N 3.38Å; D96-K100 WeakPolarHBondContact O-CG 3.35Å; D96-R344 IonicContact OD1-CZ 3.46Å; D96-R344 IonicContact OD1-NH2 3.92Å; D96-R344 PolarHBondContact OD1-NH2 2.64Å; D96-R344 IonicContact OD2-CZ 2.77Å; D96-R344 IonicContact OD2-NH2 2.59Å; D96-R344 PolarHBondContact OD2-NH2 3Å
97R93.4Very high90.5Very high62 Ų6251 Ų5123%0.23424%0.24CC..Hα-helixtrans-81.5-39.9176.3-69.7-77.3175-170.1-3.6111.5W78 M81 K93 L94 I95 Y99 K100 G101W78-R97 HydrophobicContact CH2-CB 3.97Å; W78-R97 HydrophobicContact CZ2-CB 3.73Å; M81-R97 HydrophobicContact CE-CB 4.03Å; M81-R97 HydrophobicContact CE-CG 3.95Å; M81-R97 HydrophobicContact SD-CG 4.25Å; K93-R97 WeakPolarHBondContact O-CB 3.35Å; K93-R97 WeakPolarHBondContact O-CG 3.11Å; K93-R97 PolarHBondContact O-N 3.17Å; L94-R97 WeakPolarHBondContact O-CB 3.24Å; L94-R97 PolarHBondContact O-N 3.06Å; L94-R97 VanDerWaalsContact O-N 3.07Å; I95-R97 PolarHBondContact O-N 3.15Å; I95-R97 VanDerWaalsContact O-N 3.15Å; R97-Y99 VanDerWaalsContact C-N 3.32Å; R97-Y99 PolarHBondContact O-N 2.96Å; R97-K100 WeakPolarHBondContact O-CA 3.46Å; R97-K100 WeakPolarHBondContact O-CB 3.35Å; R97-K100 PolarHBondContact O-N 3.49Å; R97-G101 PolarHBondContact O-N 3.42Å
98A93Very high90.6Very high1 Ų145.3 Ų45.31%0.00822%0.217CC..Hα-helixtrans-55.4-46.617500000111.4W78 L94 I95 K100 G101 V291W78-A98 HydrophobicContact CH2-CB 4.46Å; L94-A98 PolarHBondContact O-N 2.86Å; I95-A98 WeakPolarHBondContact O-CB 3.41Å; I95-A98 PolarHBondContact O-N 2.99Å; I95-A98 VanDerWaalsContact O-N 3.13Å; A98-K100 PolarHBondContact O-N 2.8Å; A98-G101 PolarHBondContact O-N 3.47Å; A98-V291 HydrophobicContact CB-CB 4.23Å; A98-V291 HydrophobicContact CB-CG1 4.32Å; A98-V291 HydrophobicContact CB-CG2 3.96Å
99Y92.8Very high90.8Very high11 Ų1145.3 Ų45.34%0.04322%0.222CC..THydrogen-bonded Turntrans-63.4-24175.1-77.8-80.4000114.4I95 R97 G101 R284 V288 E292 L340 L343 R344 M347I95-Y99 HydrophobicContact CG2-CD2 3.99Å; I95-Y99 HydrophobicContact CG2-CE2 3.64Å; I95-Y99 VanDerWaalsContact O-CD2 3.25Å; I95-Y99 WeakPolarHBondContact O-CD2 3.38Å; I95-Y99 PolarHBondContact O-N 3.2Å; R97-Y99 VanDerWaalsContact C-N 3.32Å; R97-Y99 PolarHBondContact O-N 2.96Å; Y99-G101 VanDerWaalsContact C-N 3.33Å; Y99-R284 PolarHBondContact O-NH2 3.02Å; Y99-V288 HydrophobicContact CD1-CG2 4.04Å; Y99-V288 HydrophobicContact CE1-CG1 3.83Å; Y99-V288 HydrophobicContact CE1-CG2 4.15Å; Y99-V288 HydrophobicContact CE2-CG1 4.23Å; Y99-V288 HydrophobicContact CG-CG2 4.33Å; Y99-E292 HydrophobicContact CE2-CG 4.38Å; Y99-E292 WeakPolarHBondContact CE2-OE1 3.32Å; Y99-E292 PolarHBondContact OH-OE1 3.39Å; Y99-L340 HydrophobicContact CD1-CD1 4.31Å; Y99-L343 HydrophobicContact CE1-CB 4.4Å; Y99-L343 HydrophobicContact CE1-CD2 4.08Å; Y99-L343 HydrophobicContact CE1-CG 4.03Å; Y99-R344 HydrophobicContact CD1-CB 3.63Å; Y99-R344 HydrophobicContact CD1-CG 4.03Å; Y99-R344 HydrophobicContact CD2-CG 4.22Å; Y99-R344 HydrophobicContact CE1-CB 3.61Å; Y99-R344 HydrophobicContact CE1-CG 4.03Å; Y99-R344 HydrophobicContact CE2-CG 4.25Å; Y99-R344 HydrophobicContact CG-CB 4.21Å; Y99-R344 HydrophobicContact CG-CG 4.13Å; Y99-M347 WeakPolarHBondContact OH-CG 3.45Å
100K91.4Very high91.1Very high83 Ų8341.8 Ų41.836%0.36121%0.207SC..THydrogen-bonded Turntrans-76.5-26.8174.2-69.8172-175.71770111.1R74 D96 R97 A98 R284R74-K100 PolarHBondContact NH1-O 3.44Å; D96-K100 WeakPolarHBondContact O-CG 3.35Å; R97-K100 WeakPolarHBondContact O-CA 3.46Å; R97-K100 WeakPolarHBondContact O-CB 3.35Å; R97-K100 PolarHBondContact O-N 3.49Å; A98-K100 PolarHBondContact O-N 2.8Å; K100-R284 VanDerWaalsContact C-NH2 3.32Å; K100-R284 PolarHBondContact O-NH2 3.24Å; K100-R284 VanDerWaalsContact O-NH2 3.15Å
101G90Very high91.6Very high6 Ų636.6 Ų36.66%0.06217%0.17CC..  trans112.1133.9-178.400000111.6R97 A98 Y99R97-G101 PolarHBondContact O-N 3.42Å; A98-G101 PolarHBondContact O-N 3.47Å; Y99-G101 VanDerWaalsContact C-N 3.33Å
102M92Very high91.8Very high2 Ų236.1 Ų36.11%0.0117%0.167CC..  trans-86131.3174.8-160.9178.8-55.200109.9W78 I106 R107 M110 D287W78-M102 HydrophobicContact CD2-CG 4.25Å; W78-M102 HydrophobicContact CE3-CG 4.38Å; W78-M102 HydrophobicContact CH2-CB 4.29Å; W78-M102 HydrophobicContact CH2-CE 3.8Å; W78-M102 HydrophobicContact CH2-CG 4.09Å; W78-M102 HydrophobicContact CZ2-CB 3.97Å; W78-M102 HydrophobicContact CZ2-CG 3.97Å; W78-M102 HydrophobicContact CZ3-CE 3.91Å; W78-M102 HydrophobicContact CZ3-CG 4.3Å; M102-I106 HydrophobicContact CG-CB 4.2Å; M102-I106 HydrophobicContact CG-CG2 3.86Å; M102-I106 HydrophobicContact SD-CG2 4.1Å; M102-R107 HydrophobicContact CB-CG 4.29Å; M102-R107 HydrophobicContact CG-CG 4.2Å; M102-R107 PolarHBondContact O-NH2 3.49Å; M102-R107 VanDerWaalsContact O-NH2 3.12Å; M102-R107 VanDerWaalsContact SD-CA 3.6Å; M102-R107 HydrophobicContact SD-CB 4.32Å; M102-R107 HydrophobicContact SD-CG 3.88Å; M102-M110 HydrophobicContact CE-CB 3.96Å; M102-M110 HydrophobicContact CE-CG 3.3Å; M102-M110 HydrophobicContact SD-CB 3.43Å; M102-M110 WeakPolarHBondContact SD-CB 3.41Å; M102-M110 HydrophobicContact SD-CG 3.51Å; M102-M110 VanDerWaalsContact SD-CG 3.51Å; M102-D287 VanDerWaalsContact CB-OD2 3.31Å; M102-D287 WeakPolarHBondContact CB-OD2 3.42Å; M102-D287 HydrophobicContact CE-CB 4.22Å
103P90.3Very high91.9Very high2 Ų228.3 Ų28.31%0.01314%0.142CC..  trans-59.4144.5172.7-23.333.5000111E71 R74 N105 I106 R107E71-P103 WeakPolarHBondContact O-CG 3.14Å; R74-P103 HydrophobicContact CB-CG 4.15Å; P103-N105 VanDerWaalsContact C-N 3.29Å; P103-N105 WeakPolarHBondContact CB-OD1 3.41Å; P103-N105 PolarHBondContact O-N 3.31Å; P103-I106 HydrophobicContact CB-CB 4.43Å; P103-I106 HydrophobicContact CB-CG1 4.14Å; P103-I106 HydrophobicContact CG-CG1 4.33Å; P103-I106 PolarHBondContact O-N 3.23Å; P103-R107 PolarHBondContact O-N 3.33Å
104M85.5Confident91.9Very high35 Ų3522.9 Ų22.917%0.17212%0.119CC..G310 helixtrans-55.9-41.9-174.3-169.3162.86300113.6H48 L49 I106 R107 Y200 Y472H48-M104 WeakPolarHBondContact O-CE 3.35Å; L49-M104 HydrophobicContact CD2-SD 4.34Å; M104-I106 PolarHBondContact O-N 3.11Å; M104-R107 PolarHBondContact O-N 2.78Å; M104-Y200 HydrophobicContact CG-CE1 3.6Å; M104-Y472 HydrophobicContact CE-CD2 4.14Å; M104-Y472 HydrophobicContact CE-CE1 4.37Å; M104-Y472 HydrophobicContact CE-CE2 3.63Å
105N84.7Confident91.9Very high48 Ų4823 Ų2326%0.25712%0.119SC..G310 helixtrans-73.8-7.9179.861-15.2000115K75 P103 F474K75-N105 WeakPolarHBondContact CE-ND2 3.38Å; P103-N105 VanDerWaalsContact C-N 3.29Å; P103-N105 WeakPolarHBondContact CB-OD1 3.41Å; P103-N105 PolarHBondContact O-N 3.31Å; N105-F474 HydrophobicContact CB-CE1 4Å; N105-F474 HydrophobicContact CB-CZ 3.72Å
106I91.6Very high91.9Very high6 Ų623.6 Ų23.63%0.03112%0.123CC..G310 helixtrans-99.5-20.2178.6-65.5-58000111.5K75 W78 V79 L82 M102 P103 M104 G108 P109 M110K75-I106 HydrophobicContact CG-CD1 4.07Å; K75-I106 HydrophobicContact CG-CG1 4.25Å; W78-I106 HydrophobicContact CB-CB 4.46Å; W78-I106 HydrophobicContact CB-CG1 4.11Å; W78-I106 HydrophobicContact CB-CG2 3.68Å; W78-I106 HydrophobicContact CD2-CG2 4.29Å; W78-I106 HydrophobicContact CE3-CG2 4.37Å; W78-I106 HydrophobicContact CG-CG2 4.05Å; V79-I106 HydrophobicContact CG2-CD1 3.85Å; L82-I106 HydrophobicContact CD1-CG2 4.44Å; M102-I106 HydrophobicContact CG-CB 4.2Å; M102-I106 HydrophobicContact CG-CG2 3.86Å; M102-I106 HydrophobicContact SD-CG2 4.1Å; P103-I106 HydrophobicContact CB-CB 4.43Å; P103-I106 HydrophobicContact CB-CG1 4.14Å; P103-I106 HydrophobicContact CG-CG1 4.33Å; P103-I106 PolarHBondContact O-N 3.23Å; M104-I106 PolarHBondContact O-N 3.11Å; I106-G108 PolarHBondContact O-N 3.01Å; I106-P109 WeakPolarHBondContact O-CD 3.23Å; I106-M110 HydrophobicContact CG2-CB 4.11Å; I106-M110 VanDerWaalsContact O-CB 3.27Å; I106-M110 WeakPolarHBondContact O-CB 3.11Å; I106-M110 PolarHBondContact O-N 3.39Å
107R93.1Very high91.9Very high11 Ų1121.3 Ų21.34%0.04211%0.111CC..Hα-helixtrans-54.3-49.8-175.1-72.4-169.5-177.71076.8113M102 P103 M104 M110 W111 Y200 D287M102-R107 HydrophobicContact CB-CG 4.29Å; M102-R107 HydrophobicContact CG-CG 4.2Å; M102-R107 PolarHBondContact O-NH2 3.49Å; M102-R107 VanDerWaalsContact O-NH2 3.12Å; M102-R107 VanDerWaalsContact SD-CA 3.6Å; M102-R107 HydrophobicContact SD-CB 4.32Å; M102-R107 HydrophobicContact SD-CG 3.88Å; P103-R107 PolarHBondContact O-N 3.33Å; M104-R107 PolarHBondContact O-N 2.78Å; R107-M110 PolarHBondContact O-N 3.01Å; R107-W111 HydrophobicContact CB-CD2 4.36Å; R107-W111 HydrophobicContact CB-CZ2 4.33Å; R107-W111 HydrophobicContact CG-CZ2 4.36Å; R107-W111 VanDerWaalsContact O-CB 3.23Å; R107-W111 WeakPolarHBondContact O-CB 3.32Å; R107-W111 VanDerWaalsContact O-CD1 3.3Å; R107-W111 PolarHBondContact O-N 3.5Å; R107-Y200 HydrophobicContact CB-CD1 3.91Å; R107-Y200 HydrophobicContact CB-CE1 4.43Å; R107-Y200 HydrophobicContact CB-CG 4.01Å; R107-D287 IonicContact NE-OD1 2.75Å; R107-D287 IonicContact NE-OD2 3.94Å; R107-D287 PolarHBondContact NE-OD2 3.42Å; R107-D287 IonicContact NH2-OD2 3.41Å
108G93.5Very high91.8Very high8 Ų822 Ų228%0.08212%0.117CC..Hα-helixtrans-52.6-65.6178.400000112.4I106 M110 W111 S112 Y200 L201I106-G108 PolarHBondContact O-N 3.01Å; G108-M110 VanDerWaalsContact C-N 3.29Å; G108-M110 PolarHBondContact O-N 3.4Å; G108-W111 PolarHBondContact O-N 3.41Å; G108-S112 PolarHBondContact O-N 2.83Å; G108-S112 PolarHBondContact O-OG 2.93Å; G108-S112 VanDerWaalsContact O-OG 3.09Å; G108-Y200 VanDerWaalsContact CA-O 3.29Å; G108-Y200 WeakPolarHBondContact CA-O 2.93Å; G108-L201 WeakPolarHBondContact O-CD2 3.19Å
109P93.3Very high91.7Very high37 Ų3726.2 Ų26.224%0.2414%0.136CC..Hα-helixtrans-55.4-40.3179-2834.7000114.1L82 I106 S112 V113L82-P109 HydrophobicContact CD1-CB 3.94Å; I106-P109 WeakPolarHBondContact O-CD 3.23Å; P109-S112 PolarHBondContact O-N 3.46Å; P109-V113 PolarHBondContact O-N 3.34Å
110M93.9Very high91.6Very high0 Ų026.8 Ų26.80%014%0.139CC..Hα-helixtrans-70.1-42.4-179.2-17658.555.700112.7W78 L82 W85 L94 M102 I106 R107 G108 S112 V113 L114W78-M110 HydrophobicContact CE3-CE 3.49Å; W78-M110 VanDerWaalsContact CE3-CE 3.49Å; W78-M110 HydrophobicContact CE3-SD 4.43Å; W78-M110 HydrophobicContact CZ3-CE 3.8Å; W78-M110 HydrophobicContact CZ3-CG 4.17Å; W78-M110 HydrophobicContact CZ3-SD 4.14Å; L82-M110 HydrophobicContact CD1-CE 4.27Å; L82-M110 HydrophobicContact CD2-CE 3.62Å; L82-M110 HydrophobicContact CD2-SD 4.41Å; L82-M110 HydrophobicContact CG-CE 3.64Å; W85-M110 HydrophobicContact CH2-SD 4.23Å; W85-M110 HydrophobicContact CZ3-SD 3.87Å; L94-M110 HydrophobicContact CD1-SD 4.24Å; M102-M110 HydrophobicContact CE-CB 3.96Å; M102-M110 HydrophobicContact CE-CG 3.3Å; M102-M110 HydrophobicContact SD-CB 3.43Å; M102-M110 WeakPolarHBondContact SD-CB 3.41Å; M102-M110 HydrophobicContact SD-CG 3.51Å; M102-M110 VanDerWaalsContact SD-CG 3.51Å; I106-M110 HydrophobicContact CG2-CB 4.11Å; I106-M110 VanDerWaalsContact O-CB 3.27Å; I106-M110 WeakPolarHBondContact O-CB 3.11Å; I106-M110 PolarHBondContact O-N 3.39Å; R107-M110 PolarHBondContact O-N 3.01Å; G108-M110 VanDerWaalsContact C-N 3.29Å; G108-M110 PolarHBondContact O-N 3.4Å; M110-S112 VanDerWaalsContact C-N 3.27Å; M110-S112 PolarHBondContact O-N 3.36Å; M110-V113 WeakPolarHBondContact O-CG2 3.41Å; M110-V113 PolarHBondContact O-N 3.38Å; M110-V113 HydrophobicContact SD-CG2 3.98Å; M110-L114 HydrophobicContact CG-CD1 3.79Å; M110-L114 HydrophobicContact CG-CG 4.32Å; M110-L114 WeakPolarHBondContact O-CB 3.3Å; M110-L114 VanDerWaalsContact O-CG 3.24Å; M110-L114 WeakPolarHBondContact O-CG 3.39Å; M110-L114 PolarHBondContact O-N 3.32Å; M110-L114 HydrophobicContact SD-CD1 4.21Å; M110-L114 HydrophobicContact SD-CG 4.21Å
111W94.6Very high91.7Very high0 Ų024 Ų240%013%0.127CC..Hα-helixtrans-64.6-36.6176.2-67.41.9000110.6R107 G108 V113 L114 L115 L196 F197 Y200 L283 D287 L290R107-W111 HydrophobicContact CB-CD2 4.36Å; R107-W111 HydrophobicContact CB-CZ2 4.33Å; R107-W111 HydrophobicContact CG-CZ2 4.36Å; R107-W111 VanDerWaalsContact O-CB 3.23Å; R107-W111 WeakPolarHBondContact O-CB 3.32Å; R107-W111 VanDerWaalsContact O-CD1 3.3Å; R107-W111 PolarHBondContact O-N 3.5Å; G108-W111 PolarHBondContact O-N 3.41Å; W111-V113 PolarHBondContact O-N 3.36Å; W111-L114 PolarHBondContact O-N 3.39Å; W111-L115 WeakPolarHBondContact O-CB 3.3Å; W111-L115 PolarHBondContact O-N 2.94Å; W111-L196 HydrophobicContact CH2-CG 4.39Å; W111-F197 AromaticContact CE3-CD1 3.74Å; W111-F197 HydrophobicContact CE3-CD1 3.74Å; W111-F197 HydrophobicContact CE3-CE1 4.12Å; W111-F197 AromaticContact CZ3-CD1 3.88Å; W111-F197 HydrophobicContact CZ3-CD1 3.88Å; W111-F197 HydrophobicContact CZ3-CE1 4.4Å; W111-Y200 HydrophobicContact CE3-CD2 4.49Å; W111-Y200 AromaticContact CH2-CD2 3.68Å; W111-Y200 HydrophobicContact CH2-CD2 3.68Å; W111-Y200 HydrophobicContact CH2-CE2 4.19Å; W111-Y200 HydrophobicContact CH2-CG 4.49Å; W111-Y200 AromaticContact CZ3-CD2 3.62Å; W111-Y200 HydrophobicContact CZ3-CD2 3.62Å; W111-Y200 HydrophobicContact CZ3-CG 4.22Å; W111-L283 HydrophobicContact CH2-CD2 3.83Å; W111-L283 HydrophobicContact CZ2-CD2 4.27Å; W111-D287 PolarHBondContact NE1-OD1 2.93Å; W111-L290 HydrophobicContact CB-CD1 4.32Å; W111-L290 VanDerWaalsContact CD1-CD1 3.49Å; W111-L290 HydrophobicContact CD2-CD1 3.87Å; W111-L290 HydrophobicContact CG-CD1 3.65Å
112S93.9Very high91.9Very high13 Ų1329 Ų299%0.09115%0.152CC..Hα-helixtrans-58.9-44.3174.6-59.80000113.4G108 P109 M110 N116 I117 L201G108-S112 PolarHBondContact O-N 2.83Å; G108-S112 PolarHBondContact O-OG 2.93Å; G108-S112 VanDerWaalsContact O-OG 3.09Å; P109-S112 PolarHBondContact O-N 3.46Å; M110-S112 VanDerWaalsContact C-N 3.27Å; M110-S112 PolarHBondContact O-N 3.36Å; S112-N116 PolarHBondContact O-N 2.73Å; S112-N116 VanDerWaalsContact O-N 3.16Å; S112-I117 PolarHBondContact O-N 3.44Å; S112-L201 VanDerWaalsContact OG-CD2 3.29Å; S112-L201 WeakPolarHBondContact OG-CD2 3.4Å
113V93.1Very high91.9Very high38 Ų3835.1 Ų35.123%0.2318%0.179CC..Hα-helixtrans-77.3-30.4177.6-59.30000113L82 W85 P109 M110 W111 L115 N116L82-V113 HydrophobicContact CD2-CG1 4.19Å; L82-V113 HydrophobicContact CD2-CG2 3.73Å; W85-V113 HydrophobicContact CD2-CB 4.12Å; W85-V113 HydrophobicContact CD2-CG2 3.89Å; W85-V113 HydrophobicContact CE3-CG2 4.04Å; W85-V113 HydrophobicContact CG-CB 4.35Å; W85-V113 HydrophobicContact CH2-CG2 4.03Å; W85-V113 HydrophobicContact CZ2-CB 4.17Å; W85-V113 HydrophobicContact CZ2-CG2 3.85Å; W85-V113 HydrophobicContact CZ3-CG2 4.12Å; P109-V113 PolarHBondContact O-N 3.34Å; M110-V113 WeakPolarHBondContact O-CG2 3.41Å; M110-V113 PolarHBondContact O-N 3.38Å; M110-V113 HydrophobicContact SD-CG2 3.98Å; W111-V113 PolarHBondContact O-N 3.36Å; V113-L115 VanDerWaalsContact C-N 3.35Å; V113-N116 PolarHBondContact O-OD1 3.27Å
114L92.5Very high92Very high17 Ų1736.1 Ų36.19%0.08918%0.184CC..Hα-helixtrans-68.6-35176.3-77.8168.7000112.3W85 L94 M110 W111 L290 V291W85-L114 HydrophobicContact CH2-CD2 3.64Å; W85-L114 HydrophobicContact CH2-CG 4.11Å; W85-L114 HydrophobicContact CZ2-CD2 4.13Å; L94-L114 HydrophobicContact CD2-CD2 4.35Å; M110-L114 HydrophobicContact CG-CD1 3.79Å; M110-L114 HydrophobicContact CG-CG 4.32Å; M110-L114 WeakPolarHBondContact O-CB 3.3Å; M110-L114 VanDerWaalsContact O-CG 3.24Å; M110-L114 WeakPolarHBondContact O-CG 3.39Å; M110-L114 PolarHBondContact O-N 3.32Å; M110-L114 HydrophobicContact SD-CD1 4.21Å; M110-L114 HydrophobicContact SD-CG 4.21Å; W111-L114 PolarHBondContact O-N 3.39Å; L114-L290 HydrophobicContact CD1-CB 4Å; L114-V291 HydrophobicContact CD1-CG2 3.78Å; L114-V291 HydrophobicContact CD2-CG2 3.9Å
115L92.1Very high92.4Very high5 Ų539.4 Ų39.43%0.02621%0.208CC..THydrogen-bonded Turntrans-96.92.9-179.3-66.9170.4000113W111 V113 I117 F197 A209 Q212 L213 L290W111-L115 WeakPolarHBondContact O-CB 3.3Å; W111-L115 PolarHBondContact O-N 2.94Å; V113-L115 VanDerWaalsContact C-N 3.35Å; L115-I117 HydrophobicContact CB-CG1 3.94Å; L115-I117 PolarHBondContact O-N 3.3Å; L115-F197 HydrophobicContact CD1-CE1 3.82Å; L115-F197 HydrophobicContact CD1-CZ 3.9Å; L115-A209 HydrophobicContact CD1-CB 3.64Å; L115-Q212 HydrophobicContact CB-CB 4.27Å; L115-Q212 HydrophobicContact CD2-CB 4.38Å; L115-Q212 VanDerWaalsContact O-CG 3.23Å; L115-Q212 WeakPolarHBondContact O-CG 3.3Å; L115-Q212 PolarHBondContact O-NE2 2.81Å; L115-L213 HydrophobicContact CD2-CD1 4.41Å; L115-L290 HydrophobicContact CD1-CD2 4.1Å; L115-L290 HydrophobicContact CD2-CD2 3.79Å; L115-L290 HydrophobicContact CG-CD2 4.1Å
116N91.9Very high92.8Very high61 Ų6139.3 Ų39.333%0.32622%0.218SC..THydrogen-bonded Turntrans49.542-176.1-66.4-2.7000113S112 V113 E118 E119 M120S112-N116 PolarHBondContact O-N 2.73Å; S112-N116 VanDerWaalsContact O-N 3.16Å; V113-N116 PolarHBondContact O-OD1 3.27Å; N116-E118 VanDerWaalsContact C-N 3.28Å; N116-E118 PolarHBondContact O-N 3.46Å; N116-E119 HydrophobicContact CB-CB 4.23Å; N116-E119 PolarHBondContact ND2-OE2 3.27Å; N116-E119 PolarHBondContact O-N 3.32Å; N116-M120 PolarHBondContact O-N 3.48Å
117I93Very high92.9Very high2 Ų243.9 Ų43.91%0.0124%0.235CC..Hα-helixtrans-58.6-43.1-175.6-64.6-178.7000111S112 L115 E119 M120 K121 L201 D205 W208 A209S112-I117 PolarHBondContact O-N 3.44Å; L115-I117 HydrophobicContact CB-CG1 3.94Å; L115-I117 PolarHBondContact O-N 3.3Å; I117-E119 VanDerWaalsContact C-N 3.35Å; I117-E119 PolarHBondContact O-N 3.37Å; I117-M120 WeakPolarHBondContact O-CB 3.12Å; I117-M120 PolarHBondContact O-N 2.92Å; I117-M120 VanDerWaalsContact O-N 3.16Å; I117-K121 HydrophobicContact CG2-CD 4.03Å; I117-K121 HydrophobicContact CG2-CG 4.4Å; I117-K121 WeakPolarHBondContact O-CG 3.42Å; I117-K121 PolarHBondContact O-N 2.84Å; I117-L201 HydrophobicContact CD1-CD1 3.79Å; I117-L201 HydrophobicContact CD1-CD2 4.44Å; I117-D205 HydrophobicContact CD1-CB 4.36Å; I117-D205 HydrophobicContact CG2-CB 3.96Å; I117-W208 HydrophobicContact CG2-CB 3.92Å; I117-A209 HydrophobicContact CD1-CB 3.76Å; I117-A209 HydrophobicContact CG1-CB 4.42Å
118E91.5Very high93Very high77 Ų7743.8 Ų43.836%0.3624%0.235SC..Hα-helixtrans-62-41.8-178.3-177.6165.3-152.300112.5N116 M120 K121 L122N116-E118 VanDerWaalsContact C-N 3.28Å; N116-E118 PolarHBondContact O-N 3.46Å; E118-M120 VanDerWaalsContact C-N 3.29Å; E118-M120 PolarHBondContact O-N 3.47Å; E118-K121 PolarHBondContact O-N 3.26Å; E118-L122 HydrophobicContact CG-CD1 4.13Å; E118-L122 WeakPolarHBondContact O-CG 3.36Å; E118-L122 PolarHBondContact O-N 2.79Å
119E91.1Very high93.1Very high88 Ų8847.7 Ų47.741%0.41125%0.251SS..Hα-helixtrans-61.2-40.4175.9-171.8-175.717400111.2N116 I117 L122 K123N116-E119 HydrophobicContact CB-CB 4.23Å; N116-E119 PolarHBondContact ND2-OE2 3.27Å; N116-E119 PolarHBondContact O-N 3.32Å; I117-E119 VanDerWaalsContact C-N 3.35Å; I117-E119 PolarHBondContact O-N 3.37Å; E119-L122 PolarHBondContact O-N 3.12Å; E119-K123 HydrophobicContact CG-CD 4.35Å; E119-K123 WeakPolarHBondContact O-CB 3.33Å; E119-K123 VanDerWaalsContact O-CG 3.31Å; E119-K123 WeakPolarHBondContact O-CG 3.45Å; E119-K123 PolarHBondContact O-N 2.91Å; E119-K123 WeakPolarHBondContact OE1-CE 3.31Å; E119-K123 IonicContact OE1-NZ 3.86Å; E119-K123 PolarHBondContact OE1-NZ 3.19Å
120M91.7Very high93.2Very high23 Ų2350.7 Ų50.711%0.11326%0.264CS..Hα-helixtrans-66.7-40.9177.5-70.8-57.3-68.400112.7N116 I117 E118 K123 N124 W208 V211 Q212N116-M120 PolarHBondContact O-N 3.48Å; I117-M120 WeakPolarHBondContact O-CB 3.12Å; I117-M120 PolarHBondContact O-N 2.92Å; I117-M120 VanDerWaalsContact O-N 3.16Å; E118-M120 VanDerWaalsContact C-N 3.29Å; E118-M120 PolarHBondContact O-N 3.47Å; M120-K123 PolarHBondContact O-N 2.97Å; M120-N124 WeakPolarHBondContact O-CB 3.11Å; M120-N124 PolarHBondContact O-N 3.17Å; M120-N124 VanDerWaalsContact O-N 3.1Å; M120-N124 PolarHBondContact O-ND2 3.1Å; M120-W208 HydrophobicContact CB-CB 4.49Å; M120-W208 HydrophobicContact CB-CD2 4.01Å; M120-W208 HydrophobicContact CB-CE3 3.78Å; M120-W208 HydrophobicContact CB-CG 4.33Å; M120-W208 HydrophobicContact CB-CZ3 4.38Å; M120-W208 HydrophobicContact CE-CE3 3.93Å; M120-W208 HydrophobicContact CE-CZ3 3.72Å; M120-W208 HydrophobicContact CG-CE3 4.47Å; M120-V211 HydrophobicContact CE-CG1 4.44Å; M120-Q212 HydrophobicContact CG-CG 3.58Å; M120-Q212 PolarHBondContact SD-OE1 3.42Å
121K93.1Very high93.3Very high24 Ų2451.1 Ų51.110%0.10427%0.266CS..Hα-helixtrans-63.6-45.1175.7-71.1-17969.4156.10111.8I117 E118 K123 N124 E204 D205 W208I117-K121 HydrophobicContact CG2-CD 4.03Å; I117-K121 HydrophobicContact CG2-CG 4.4Å; I117-K121 WeakPolarHBondContact O-CG 3.42Å; I117-K121 PolarHBondContact O-N 2.84Å; E118-K121 PolarHBondContact O-N 3.26Å; K121-K123 VanDerWaalsContact C-N 3.3Å; K121-K123 PolarHBondContact O-N 3.45Å; K121-N124 CarbonylContact O-C 3.56Å; K121-N124 VanDerWaalsContact O-C 3.26Å; K121-N124 PolarHBondContact O-N 2.94Å; K121-N124 VanDerWaalsContact O-N 3.1Å; K121-E204 WeakPolarHBondContact CE-OE1 3.2Å; K121-E204 WeakPolarHBondContact CE-OE2 3.04Å; K121-E204 IonicContact NZ-OE1 3.37Å; K121-E204 IonicContact NZ-OE2 3.39Å; K121-E204 PolarHBondContact NZ-OE2 2.81Å; K121-D205 VanDerWaalsContact CD-OD1 3.25Å; K121-D205 WeakPolarHBondContact CD-OD1 3.47Å; K121-D205 IonicContact NZ-OD1 3.74Å; K121-D205 PolarHBondContact NZ-OD1 3.26Å; K121-W208 HydrophobicContact CG-CG 4.07Å
122L93.1Very high93.3Very high113 Ų11352.1 Ų52.159%0.59227%0.27SS*.Hα-helixtrans-62.5-36.8177.8-72.5171.3000112.2E118 E119 N124E118-L122 HydrophobicContact CG-CD1 4.13Å; E118-L122 WeakPolarHBondContact O-CG 3.36Å; E118-L122 PolarHBondContact O-N 2.79Å; E119-L122 PolarHBondContact O-N 3.12Å; L122-N124 VanDerWaalsContact C-N 3.31Å
123K92.9Very high93.4Very high129 Ų12954.9 Ų54.956%0.56128%0.282SS*.Hα-helixtrans-74-19.3175.3-72.2175-174.8172.60113.8E119 M120 K121E119-K123 HydrophobicContact CG-CD 4.35Å; E119-K123 WeakPolarHBondContact O-CB 3.33Å; E119-K123 VanDerWaalsContact O-CG 3.31Å; E119-K123 WeakPolarHBondContact O-CG 3.45Å; E119-K123 PolarHBondContact O-N 2.91Å; E119-K123 WeakPolarHBondContact OE1-CE 3.31Å; E119-K123 IonicContact OE1-NZ 3.86Å; E119-K123 PolarHBondContact OE1-NZ 3.19Å; M120-K123 PolarHBondContact O-N 2.97Å; K121-K123 VanDerWaalsContact C-N 3.3Å; K121-K123 PolarHBondContact O-N 3.45Å
124N92.6Very high93.4Very high23 Ų2358.1 Ų58.112%0.12329%0.293CS..SBendtrans-135.457-172-61.7-87.7000112.3M120 K121 L122 G126 R127 W208M120-N124 WeakPolarHBondContact O-CB 3.11Å; M120-N124 PolarHBondContact O-N 3.17Å; M120-N124 VanDerWaalsContact O-N 3.1Å; M120-N124 PolarHBondContact O-ND2 3.1Å; K121-N124 CarbonylContact O-C 3.56Å; K121-N124 VanDerWaalsContact O-C 3.26Å; K121-N124 PolarHBondContact O-N 2.94Å; K121-N124 VanDerWaalsContact O-N 3.1Å; L122-N124 VanDerWaalsContact C-N 3.31Å; N124-G126 PolarHBondContact O-N 3.38Å; N124-R127 HydrophobicContact CB-CB 3.85Å; N124-R127 HydrophobicContact CB-CG 4.5Å; N124-R127 WeakPolarHBondContact O-CB 3.28Å; N124-R127 PolarHBondContact O-N 3.4Å; N124-R127 VanDerWaalsContact OD1-CD 3.23Å; N124-R127 WeakPolarHBondContact OD1-CD 3.4Å; N124-R127 PolarHBondContact OD1-NH1 2.68Å; N124-W208 HydrophobicContact CB-CH2 3.37Å; N124-W208 HydrophobicContact CB-CZ2 3.47Å; N124-W208 VanDerWaalsContact CB-CZ2 3.47Å; N124-W208 HydrophobicContact CB-CZ3 4.44Å
125P93.3Very high93.5Very high105 Ų10557.4 Ų57.468%0.68229%0.289SS*.THydrogen-bonded Turntrans-61.1131.9-178.227.3-35000111R127P125-R127 PolarHBondContact O-N 2.94Å
126G92.9Very high93.5Very high45 Ų4558.2 Ų58.246%0.46429%0.293SS..THydrogen-bonded Turntrans68.7-6.7178.400000115.8N124 Y128 Q129 I130N124-G126 PolarHBondContact O-N 3.38Å; G126-Y128 VanDerWaalsContact C-N 3.31Å; G126-Y128 PolarHBondContact O-N 3.16Å; G126-Q129 PolarHBondContact O-N 3.16Å; G126-I130 PolarHBondContact O-N 3.42Å
127R93.8Very high93.5Very high102 Ų10262.8 Ų62.839%0.38531%0.309SS..Hα-helixtrans-61.4-39.4-174.6-169.2177.3175161.82.7112.3N124 P125 Q129 I130 M131 W208N124-R127 HydrophobicContact CB-CB 3.85Å; N124-R127 HydrophobicContact CB-CG 4.5Å; N124-R127 WeakPolarHBondContact O-CB 3.28Å; N124-R127 PolarHBondContact O-N 3.4Å; N124-R127 VanDerWaalsContact OD1-CD 3.23Å; N124-R127 WeakPolarHBondContact OD1-CD 3.4Å; N124-R127 PolarHBondContact OD1-NH1 2.68Å; P125-R127 PolarHBondContact O-N 2.94Å; R127-Q129 PolarHBondContact O-N 3.41Å; R127-I130 PolarHBondContact O-N 2.87Å; R127-M131 HydrophobicContact CG-CE 3.85Å; R127-M131 HydrophobicContact CG-CG 4.45Å; R127-M131 HydrophobicContact CG-SD 4Å; R127-M131 WeakPolarHBondContact O-CG 3.34Å; R127-M131 PolarHBondContact O-N 2.98Å; R127-W208 HydrophobicContact CB-CZ2 4.45Å
128Y95.5Very high93.4Very high9 Ų965.4 Ų65.44%0.03533%0.328CS..Hα-helixtrans-57.1-48.9177.7173.7-110.5000111.8G126 I130 M131 K132 A176 E203 E204 F207G126-Y128 VanDerWaalsContact C-N 3.31Å; G126-Y128 PolarHBondContact O-N 3.16Å; Y128-I130 VanDerWaalsContact C-N 3.33Å; Y128-I130 PolarHBondContact O-N 3.35Å; Y128-M131 PolarHBondContact O-N 2.87Å; Y128-K132 HydrophobicContact CE1-CD 4.11Å; Y128-K132 WeakPolarHBondContact O-CB 3.38Å; Y128-K132 PolarHBondContact O-N 3.48Å; Y128-A176 HydrophobicContact CD2-CB 4.01Å; Y128-A176 HydrophobicContact CE2-CB 3.66Å; Y128-E203 HydrophobicContact CE1-CG 4.3Å; Y128-E203 VanDerWaalsContact CE1-OE1 3.23Å; Y128-E203 WeakPolarHBondContact CE1-OE1 2.95Å; Y128-E203 VanDerWaalsContact CZ-OE1 3.27Å; Y128-E203 VanDerWaalsContact OH-CG 3.27Å; Y128-E203 WeakPolarHBondContact OH-CG 3.47Å; Y128-E203 PolarHBondContact OH-OE1 3.48Å; Y128-E204 HydrophobicContact CD1-CB 3.92Å; Y128-E204 HydrophobicContact CD1-CG 3.79Å; Y128-E204 HydrophobicContact CE1-CB 4.28Å; Y128-E204 HydrophobicContact CG-CB 4.4Å; Y128-E204 HydrophobicContact CG-CG 3.88Å; Y128-F207 HydrophobicContact CD2-CB 3.74Å; Y128-F207 AromaticContact CD2-CD1 3.47Å; Y128-F207 HydrophobicContact CD2-CD1 3.47Å; Y128-F207 VanDerWaalsContact CD2-CD1 3.47Å; Y128-F207 AromaticContact CD2-CD2 3.86Å; Y128-F207 HydrophobicContact CD2-CD2 3.86Å; Y128-F207 HydrophobicContact CD2-CE1 4.05Å; Y128-F207 HydrophobicContact CD2-CE2 4.38Å; Y128-F207 AromaticContact CD2-CG 3.38Å; Y128-F207 HydrophobicContact CD2-CG 3.38Å; Y128-F207 HydrophobicContact CD2-CZ 4.48Å; Y128-F207 HydrophobicContact CE2-CB 3.61Å; Y128-F207 HydrophobicContact CE2-CD1 4.18Å; Y128-F207 AromaticContact CE2-CD2 3.86Å; Y128-F207 HydrophobicContact CE2-CD2 3.86Å; Y128-F207 AromaticContact CE2-CG 3.6Å; Y128-F207 HydrophobicContact CE2-CG 3.6Å; Y128-F207 HydrophobicContact CG-CD1 4.27Å; Y128-F207 HydrophobicContact CG-CG 4.48Å
129Q96Very high93.4Very high91 Ų9161.9 Ų61.943%0.42531%0.312SS..Hα-helixtrans-62.9-40.3-179.2-170.658.335.500111.5G126 R127 K132 E133G126-Q129 PolarHBondContact O-N 3.16Å; R127-Q129 PolarHBondContact O-N 3.41Å; Q129-K132 PolarHBondContact O-N 3.21Å; Q129-E133 PolarHBondContact NE2-OE1 3.46Å; Q129-E133 VanDerWaalsContact NE2-OE1 3.16Å; Q129-E133 WeakPolarHBondContact O-CG 3.43Å; Q129-E133 PolarHBondContact O-N 3.02Å
130I95.5Very high93.2Very high99 Ų9965.8 Ų65.851%0.50833%0.33SS..Hα-helixtrans-61.4-46.6175.7-64168.8000110.9G126 R127 Y128 E133 K134G126-I130 PolarHBondContact O-N 3.42Å; R127-I130 PolarHBondContact O-N 2.87Å; Y128-I130 VanDerWaalsContact C-N 3.33Å; Y128-I130 PolarHBondContact O-N 3.35Å; I130-E133 PolarHBondContact O-N 3.4Å; I130-K134 HydrophobicContact CG2-CD 4.2Å; I130-K134 WeakPolarHBondContact O-CB 3.23Å; I130-K134 WeakPolarHBondContact O-CG 3.29Å; I130-K134 PolarHBondContact O-N 3.06Å
131M95.4Very high93.1Very high10 Ų1067.6 Ų67.65%0.04934%0.338CS..Hα-helixtrans-69.2-37.5-178.5-67.9179.5-52.700112.4R127 Y128 K134 G135 A176 E179 Y180 F207R127-M131 HydrophobicContact CG-CE 3.85Å; R127-M131 HydrophobicContact CG-CG 4.45Å; R127-M131 HydrophobicContact CG-SD 4Å; R127-M131 WeakPolarHBondContact O-CG 3.34Å; R127-M131 PolarHBondContact O-N 2.98Å; Y128-M131 PolarHBondContact O-N 2.87Å; M131-K134 PolarHBondContact O-N 3.07Å; M131-G135 PolarHBondContact O-N 3.48Å; M131-A176 HydrophobicContact CB-CB 4.11Å; M131-E179 HydrophobicContact CB-CB 4.23Å; M131-E179 HydrophobicContact CB-CG 4.08Å; M131-E179 HydrophobicContact CG-CG 4.02Å; M131-Y180 HydrophobicContact CE-CD2 3.9Å; M131-Y180 HydrophobicContact SD-CD2 3.62Å; M131-Y180 HydrophobicContact SD-CG 4.17Å; M131-F207 HydrophobicContact CE-CE1 3.55Å; M131-F207 HydrophobicContact CE-CE2 4.21Å; M131-F207 HydrophobicContact CE-CZ 3.25Å; M131-F207 HydrophobicContact SD-CZ 4.46Å
132K95.3Very high93.1Very high21 Ų2166.8 Ų66.89%0.09134%0.335CS..Hα-helixtrans-58.3-50.1173.1172.8178.5171.7169.20111.5Y128 Q129 G135 K136 H172 A176 E203Y128-K132 HydrophobicContact CE1-CD 4.11Å; Y128-K132 WeakPolarHBondContact O-CB 3.38Å; Y128-K132 PolarHBondContact O-N 3.48Å; Q129-K132 PolarHBondContact O-N 3.21Å; K132-G135 PolarHBondContact O-N 3.19Å; K132-K136 WeakPolarHBondContact O-CG 3.47Å; K132-K136 PolarHBondContact O-N 3.25Å; K132-K136 VanDerWaalsContact O-N 3.1Å; K132-H172 HydrophobicContact CD-CB 3.97Å; K132-H172 VanDerWaalsContact CE-CE1 3.45Å; K132-H172 WeakPolarHBondContact CE-CE1 3.48Å; K132-H172 VanDerWaalsContact CE-ND1 3.26Å; K132-H172 WeakPolarHBondContact CE-ND1 3.26Å; K132-H172 HydrophobicContact CG-CB 4.15Å; K132-H172 PolarHBondContact NZ-CE1 3.47Å; K132-H172 PolarHBondContact NZ-ND1 3.29Å; K132-H172 VanDerWaalsContact NZ-ND1 3.11Å; K132-A176 HydrophobicContact CB-CB 4.33Å; K132-E203 IonicContact NZ-OE1 3.73Å; K132-E203 PolarHBondContact NZ-OE1 2.85Å; K132-E203 IonicContact NZ-OE2 2.72Å
133E95.2Very high93Very high71 Ų7164.4 Ų64.433%0.33232%0.321SS..Hα-helixtrans-69.4-33.4-179.9-66.8-51.6130.400112.8Q129 I130 K136Q129-E133 PolarHBondContact NE2-OE1 3.46Å; Q129-E133 VanDerWaalsContact NE2-OE1 3.16Å; Q129-E133 WeakPolarHBondContact O-CG 3.43Å; Q129-E133 PolarHBondContact O-N 3.02Å; I130-E133 PolarHBondContact O-N 3.4Å; E133-K136 IonicContact OE1-NZ 3.23Å; E133-K136 PolarHBondContact OE1-NZ 2.99Å
134K93.8Very high92.9Very high106 Ų10664 Ų6446%0.46132%0.316SS..Hα-helixtrans-66.3-50.4171.3-76.2-177.1177.8-170.60111.7I130 M131 K136 K137 S138 E179I130-K134 HydrophobicContact CG2-CD 4.2Å; I130-K134 WeakPolarHBondContact O-CB 3.23Å; I130-K134 WeakPolarHBondContact O-CG 3.29Å; I130-K134 PolarHBondContact O-N 3.06Å; M131-K134 PolarHBondContact O-N 3.07Å; K134-K136 VanDerWaalsContact C-N 3.27Å; K134-K136 PolarHBondContact O-N 3.03Å; K134-K137 CarbonylContact O-C 3.26Å; K134-K137 WeakPolarHBondContact O-CA 3.3Å; K134-K137 WeakPolarHBondContact O-CB 3.24Å; K134-K137 PolarHBondContact O-N 3.14Å; K134-S138 PolarHBondContact O-N 3.29Å; K134-S138 PolarHBondContact O-OG 3.36Å; K134-E179 HydrophobicContact CB-CG 4.04Å; K134-E179 HydrophobicContact CD-CG 4.24Å; K134-E179 WeakPolarHBondContact CD-OE1 3.23Å; K134-E179 IonicContact NZ-OE1 2.63Å
135G93.3Very high93Very high1 Ų163 Ų631%0.0131%0.31CS..Hα-helixtrans-58.4-36.1-17900000113M131 K132 K137 S138 S139M131-G135 PolarHBondContact O-N 3.48Å; K132-G135 PolarHBondContact O-N 3.19Å; G135-K137 PolarHBondContact O-N 3.21Å; G135-S138 PolarHBondContact O-N 3.07Å; G135-S139 WeakPolarHBondContact O-CB 3.4Å; G135-S139 PolarHBondContact O-N 3.47Å
136K93.6Very high93Very high23 Ų2359 Ų5910%0.128%0.283CS..Hα-helixtrans-56.1-37.6169.5-75.5-179.9-175.9-175.70112.6R15 I19 E23 K132 E133 K134 H172 L175R15-K136 VanDerWaalsContact CD-O 3.31Å; R15-K136 WeakPolarHBondContact CD-O 2.89Å; I19-K136 HydrophobicContact CD1-CB 3.9Å; I19-K136 HydrophobicContact CD1-CG 4.32Å; I19-K136 WeakPolarHBondContact CD1-O 3.48Å; I19-K136 HydrophobicContact CG2-CD 4.48Å; E23-K136 IonicContact OE1-NZ 2.91Å; E23-K136 PolarHBondContact OE1-NZ 3.47Å; K132-K136 WeakPolarHBondContact O-CG 3.47Å; K132-K136 PolarHBondContact O-N 3.25Å; K132-K136 VanDerWaalsContact O-N 3.1Å; E133-K136 IonicContact OE1-NZ 3.23Å; E133-K136 PolarHBondContact OE1-NZ 2.99Å; K134-K136 VanDerWaalsContact C-N 3.27Å; K134-K136 PolarHBondContact O-N 3.03Å; K136-H172 WeakPolarHBondContact CE-NE2 3.49Å; K136-L175 HydrophobicContact CG-CD1 4.09Å
137K91.8Very high93Very high156 Ų15665.4 Ų65.468%0.67829%0.293SS*.Hα-helixtrans-90.1-28.1-177-63.2176.5-176.1-179.90113.7R15 K134 G135R15-K137 PolarHBondContact NE-O 3.01Å; R15-K137 PolarHBondContact NH1-O 3.04Å; R15-K137 PolarHBondContact NH2-O 2.92Å; K134-K137 CarbonylContact O-C 3.26Å; K134-K137 WeakPolarHBondContact O-CA 3.3Å; K134-K137 WeakPolarHBondContact O-CB 3.24Å; K134-K137 PolarHBondContact O-N 3.14Å; G135-K137 PolarHBondContact O-N 3.21Å
138S90.8Very high92.8Very high57 Ų5761.6 Ų61.640%0.39928%0.281SS..Hα-helixtrans-111.2-17.9-16959.30000115.1K134 G135 E140 E179K134-S138 PolarHBondContact O-N 3.29Å; K134-S138 PolarHBondContact O-OG 3.36Å; G135-S138 PolarHBondContact O-N 3.07Å; S138-E140 PolarHBondContact O-N 3.46Å; S138-E179 PolarHBondContact OG-OE2 3.28Å
139S90.4Very high92.7Very high3 Ų361.2 Ų61.22%0.02128%0.279CS..  trans-57.8128.2-172.4177.50000112.4R15 G135 H141 I142 L175 E178R15-S139 WeakPolarHBondContact CD-O 3.4Å; R15-S139 PolarHBondContact NH1-O 2.89Å; G135-S139 WeakPolarHBondContact O-CB 3.4Å; G135-S139 PolarHBondContact O-N 3.47Å; S139-H141 PolarHBondContact OG-N 3.42Å; S139-I142 PolarHBondContact OG-N 3.31Å; S139-L175 VanDerWaalsContact CB-CD2 3.44Å; S139-L175 WeakPolarHBondContact OG-CD2 3.39Å; S139-E178 VanDerWaalsContact CB-OE2 3.27Å; S139-E178 WeakPolarHBondContact CB-OE2 3.27Å; S139-E178 PolarHBondContact OG-OE1 2.8Å; S139-E178 PolarHBondContact OG-OE2 3.14Å
140E87.9Confident92.4Very high170 Ų17058.8 Ų58.879%0.79427%0.272SS*.SBendtrans-89.9-22.7172.5-62.1-175.2163.500110.9S138 E178S138-E140 PolarHBondContact O-N 3.46Å; E140-E178 PolarHBondContact N-OE1 2.88Å
141H89Confident91.9Very high62 Ų6256.4 Ų56.429%0.28727%0.272SS..  trans-95.75-174.2-59.696000114.1S139 Q143 R144 I145 E178 Y186S139-H141 PolarHBondContact OG-N 3.42Å; H141-Q143 VanDerWaalsContact C-N 3.29Å; H141-Q143 PolarHBondContact O-N 3.32Å; H141-Q143 VanDerWaalsContact O-N 3.13Å; H141-R144 WeakPolarHBondContact O-CA 3.48Å; H141-R144 WeakPolarHBondContact O-CB 3.4Å; H141-R144 PolarHBondContact O-N 2.97Å; H141-I145 HydrophobicContact CB-CD1 4.3Å; H141-I145 HydrophobicContact CB-CG1 4.35Å; H141-I145 WeakPolarHBondContact O-CG1 3.23Å; H141-I145 PolarHBondContact O-N 3.47Å; H141-E178 IonicContact CE1-OE1 3.77Å; H141-E178 IonicContact CG-OE1 3.55Å; H141-E178 PolarHBondContact N-OE1 3.08Å; H141-E178 IonicContact ND1-OE1 2.72Å; H141-E178 PolarHBondContact ND1-OE1 3.22Å; H141-Y186 HydrophobicContact CB-CD1 4.44Å; H141-Y186 HydrophobicContact CB-CG 4.44Å
142I92.7Very high91.6Very high6 Ų655.9 Ų55.93%0.03127%0.269CS..Hα-helixtrans-53-40.1-171.4-167.8169.8000114.1R15 I18 I19 S139 R144 I145 D146 L175R15-I142 HydrophobicContact CB-CD1 4.5Å; R15-I142 HydrophobicContact CB-CG2 3.89Å; R15-I142 HydrophobicContact CG-CB 4.47Å; R15-I142 HydrophobicContact CG-CD1 3.72Å; R15-I142 HydrophobicContact CG-CG2 3.93Å; I18-I142 HydrophobicContact CB-CD1 4.14Å; I18-I142 HydrophobicContact CB-CG1 4.47Å; I18-I142 HydrophobicContact CD1-CG2 4.34Å; I18-I142 HydrophobicContact CG2-CD1 3.9Å; I18-I142 HydrophobicContact CG2-CG1 3.98Å; I19-I142 HydrophobicContact CD1-CD1 3.94Å; I19-I142 HydrophobicContact CG1-CD1 3.58Å; S139-I142 PolarHBondContact OG-N 3.31Å; I142-R144 VanDerWaalsContact C-N 3.3Å; I142-R144 PolarHBondContact O-N 3.27Å; I142-I145 PolarHBondContact O-N 3.22Å; I142-D146 VanDerWaalsContact O-CB 3.27Å; I142-D146 WeakPolarHBondContact O-CB 3.49Å; I142-D146 PolarHBondContact O-N 2.89Å; I142-L175 HydrophobicContact CG1-CD2 4.37Å
143Q91.8Very high91Very high63 Ų6356.4 Ų56.429%0.29427%0.273SS..Hα-helixtrans-64.1-37.2178.2-68.5-178.45.100112.3E14 I18 H141 R147E14-Q143 HydrophobicContact CG-CG 4.31Å; E14-Q143 VanDerWaalsContact CG-NE2 3.27Å; I18-Q143 HydrophobicContact CD1-CB 4.47Å; I18-Q143 HydrophobicContact CD1-CG 3.85Å; H141-Q143 VanDerWaalsContact C-N 3.29Å; H141-Q143 PolarHBondContact O-N 3.32Å; H141-Q143 VanDerWaalsContact O-N 3.13Å; Q143-R147 WeakPolarHBondContact O-CB 3.38Å; Q143-R147 PolarHBondContact O-N 3.1Å; Q143-R147 VanDerWaalsContact O-N 3.11Å
144R91.2Very high90.4Very high122 Ų12256.7 Ų56.746%0.4627%0.271SS..Hα-helixtrans-71.4-43.9177.2-171.2-179.5175.9171.51.8110.3H141 I142 D146 R147 D148 Y186H141-R144 WeakPolarHBondContact O-CA 3.48Å; H141-R144 WeakPolarHBondContact O-CB 3.4Å; H141-R144 PolarHBondContact O-N 2.97Å; I142-R144 VanDerWaalsContact C-N 3.3Å; I142-R144 PolarHBondContact O-N 3.27Å; R144-D146 VanDerWaalsContact C-N 3.32Å; R144-D146 PolarHBondContact O-N 3.24Å; R144-R147 PolarHBondContact O-N 3.37Å; R144-D148 WeakPolarHBondContact O-CB 3.48Å; R144-D148 PolarHBondContact O-N 3.39Å; R144-Y186 HydrophobicContact CB-CE1 4.5Å; R144-Y186 HydrophobicContact CG-CD1 4.23Å; R144-Y186 HydrophobicContact CG-CE1 4Å
145I93.1Very high89.9Confident0 Ų059.1 Ų59.10%028%0.281CS..Hα-helixtrans-57.7-48.2174.4-61.7173.4000109.5H141 I142 R147 D148 V149 L171 L174 L175 Y186H141-I145 HydrophobicContact CB-CD1 4.3Å; H141-I145 HydrophobicContact CB-CG1 4.35Å; H141-I145 WeakPolarHBondContact O-CG1 3.23Å; H141-I145 PolarHBondContact O-N 3.47Å; I142-I145 PolarHBondContact O-N 3.22Å; I145-R147 PolarHBondContact O-N 3.42Å; I145-D148 PolarHBondContact O-N 3.37Å; I145-V149 HydrophobicContact CG2-CG2 4.13Å; I145-V149 WeakPolarHBondContact O-CB 3.35Å; I145-V149 VanDerWaalsContact O-CG2 3.25Å; I145-V149 WeakPolarHBondContact O-CG2 3.31Å; I145-V149 PolarHBondContact O-N 2.87Å; I145-L171 HydrophobicContact CG2-CD1 3.74Å; I145-L174 HydrophobicContact CD1-CB 4.43Å; I145-L174 HydrophobicContact CG2-CB 3.8Å; I145-L174 HydrophobicContact CG2-CD1 3.67Å; I145-L174 HydrophobicContact CG2-CG 4.4Å; I145-L175 HydrophobicContact CD1-CD2 3.86Å; I145-Y186 HydrophobicContact CD1-CD2 4.14Å; I145-Y186 HydrophobicContact CD1-CG 4.23Å; I145-Y186 HydrophobicContact CG1-CD1 3.79Å; I145-Y186 HydrophobicContact CG1-CD2 3.71Å; I145-Y186 HydrophobicContact CG1-CE1 3.86Å; I145-Y186 HydrophobicContact CG1-CE2 3.77Å; I145-Y186 HydrophobicContact CG1-CG 3.7Å
146D93.8Very high89.5Confident23 Ų2359.5 Ų59.512%0.12328%0.283CS..Hα-helixtrans-59-47.6-178.5-175.448.1000112.6I18 Y22 I142 R144 D148 V149 S150 R162I18-D146 HydrophobicContact CD1-CB 4.39Å; I18-D146 HydrophobicContact CG2-CB 4.01Å; Y22-D146 WeakPolarHBondContact CE2-OD1 3.34Å; Y22-D146 PolarHBondContact OH-OD1 3.1Å; I142-D146 VanDerWaalsContact O-CB 3.27Å; I142-D146 WeakPolarHBondContact O-CB 3.49Å; I142-D146 PolarHBondContact O-N 2.89Å; R144-D146 VanDerWaalsContact C-N 3.32Å; R144-D146 PolarHBondContact O-N 3.24Å; D146-D148 PolarHBondContact O-N 3.21Å; D146-V149 PolarHBondContact O-N 3.06Å; D146-S150 WeakPolarHBondContact O-CB 3.45Å; D146-S150 PolarHBondContact O-N 3.13Å; D146-R162 IonicContact OD1-CZ 2.61Å; D146-R162 IonicContact OD1-NH1 3.52Å; D146-R162 IonicContact OD1-NH2 2.97Å; D146-R162 PolarHBondContact OD1-NH2 3.35Å; D146-R162 IonicContact OD2-NH2 2.64Å; D146-R162 PolarHBondContact OD2-NH2 3.27Å
147R92.1Very high89.2Confident178 Ų17860.5 Ų60.567%0.67229%0.289SS*.Hα-helixtrans-59.3-47175.2-174-176.8-59.4-173.72111.4Q143 R144 I145 S150 G151Q143-R147 WeakPolarHBondContact O-CB 3.38Å; Q143-R147 PolarHBondContact O-N 3.1Å; Q143-R147 VanDerWaalsContact O-N 3.11Å; R144-R147 PolarHBondContact O-N 3.37Å; I145-R147 PolarHBondContact O-N 3.42Å; R147-S150 WeakPolarHBondContact O-CB 3.44Å; R147-S150 PolarHBondContact O-N 3.28Å; R147-S150 PolarHBondContact O-OG 2.91Å; R147-G151 PolarHBondContact O-N 3.13Å
148D91Very high89Confident23 Ų2357.9 Ų57.912%0.12328%0.278CS..Hα-helixtrans-67.1-42.1-178.9-72.5-23.4000110.9R144 I145 D146 S150 G151 T152 Y186 R188R144-D148 WeakPolarHBondContact O-CB 3.48Å; R144-D148 PolarHBondContact O-N 3.39Å; I145-D148 PolarHBondContact O-N 3.37Å; D146-D148 PolarHBondContact O-N 3.21Å; D148-S150 VanDerWaalsContact C-N 3.28Å; D148-S150 PolarHBondContact O-N 3.46Å; D148-G151 PolarHBondContact O-N 3.02Å; D148-G151 VanDerWaalsContact O-N 3.08Å; D148-T152 PolarHBondContact O-N 3.45Å; D148-T152 VanDerWaalsContact O-N 3.08Å; D148-T152 PolarHBondContact O-OG1 2.64Å; D148-Y186 WeakPolarHBondContact CB-OH 3.47Å; D148-Y186 WeakPolarHBondContact OD2-CE1 3.3Å; D148-Y186 PolarHBondContact OD2-OH 3.49Å; D148-R188 WeakPolarHBondContact OD2-CA 3.33Å; D148-R188 WeakPolarHBondContact OD2-CB 3.42Å; D148-R188 WeakPolarHBondContact OD2-CG 3.39Å
149V92.5Very high88.9Confident0 Ų055.1 Ų55.10%026%0.259CS..Hα-helixtrans-58.1-39.1173169.40000111.7Y22 I145 D146 G151 T152 Q167 L170 L174Y22-V149 HydrophobicContact CE1-CG1 4.2Å; Y22-V149 WeakPolarHBondContact OH-CG1 3.18Å; I145-V149 HydrophobicContact CG2-CG2 4.13Å; I145-V149 WeakPolarHBondContact O-CB 3.35Å; I145-V149 VanDerWaalsContact O-CG2 3.25Å; I145-V149 WeakPolarHBondContact O-CG2 3.31Å; I145-V149 PolarHBondContact O-N 2.87Å; D146-V149 PolarHBondContact O-N 3.06Å; V149-G151 PolarHBondContact O-N 3.41Å; V149-T152 PolarHBondContact O-N 2.94Å; V149-Q167 HydrophobicContact CG1-CB 3.83Å; V149-Q167 HydrophobicContact CG1-CG 4.14Å; V149-L170 HydrophobicContact CB-CD2 4.44Å; V149-L170 HydrophobicContact CG1-CD2 4.22Å; V149-L170 HydrophobicContact CG2-CD2 3.96Å; V149-L170 HydrophobicContact CG2-CG 3.97Å; V149-L174 HydrophobicContact CG2-CD1 3.85Å
150S89.8Confident88.6Confident41 Ų4155.8 Ų55.829%0.28726%0.261SS..Hα-helixtrans-65.6-21.117883.40000113.9D146 R147 D148 R154D146-S150 WeakPolarHBondContact O-CB 3.45Å; D146-S150 PolarHBondContact O-N 3.13Å; R147-S150 WeakPolarHBondContact O-CB 3.44Å; R147-S150 PolarHBondContact O-N 3.28Å; R147-S150 PolarHBondContact O-OG 2.91Å; D148-S150 VanDerWaalsContact C-N 3.28Å; D148-S150 PolarHBondContact O-N 3.46Å; S150-R154 WeakPolarHBondContact O-CD 3.39Å; S150-R154 WeakPolarHBondContact O-CG 3.42Å; S150-R154 PolarHBondContact O-NE 2.61Å
151G86.2Confident88.5Confident48 Ų4850.2 Ų50.250%0.49524%0.237SC..Hα-helixtrans-99.9-18.7178.700000114.4R147 D148 V149 R154R147-G151 PolarHBondContact O-N 3.13Å; D148-G151 PolarHBondContact O-N 3.02Å; D148-G151 VanDerWaalsContact O-N 3.08Å; V149-G151 PolarHBondContact O-N 3.41Å; G151-R154 WeakPolarHBondContact O-CG 3.33Å
152T87.4Confident88.5Confident0 Ų048.3 Ų48.30%023%0.227CC..THydrogen-bonded Turntrans-72.9128.5-172-66.60000112.9D148 V149 R154 F159 L170 S191 A195D148-T152 PolarHBondContact O-N 3.45Å; D148-T152 VanDerWaalsContact O-N 3.08Å; D148-T152 PolarHBondContact O-OG1 2.64Å; V149-T152 PolarHBondContact O-N 2.94Å; T152-R154 PolarHBondContact O-N 2.97Å; T152-F159 WeakPolarHBondContact O-CB 3.01Å; T152-L170 HydrophobicContact CG2-CD2 4.09Å; T152-S191 PolarHBondContact OG1-OG 2.63Å; T152-A195 HydrophobicContact CG2-CB 3.35Å
153L82.6Confident88.4Confident31 Ų3149.2 Ų49.216%0.16223%0.23CC..THydrogen-bonded Turntrans48.134.4173.1-65.9-177.5000115K155 H156 F159 A195 L199L153-K155 PolarHBondContact O-N 3.21Å; L153-H156 HydrophobicContact CB-CB 4.26Å; L153-H156 WeakPolarHBondContact O-CA 3.38Å; L153-H156 VanDerWaalsContact O-CB 3.25Å; L153-H156 WeakPolarHBondContact O-CB 3.34Å; L153-H156 PolarHBondContact O-N 3.38Å; L153-F159 HydrophobicContact CB-CB 4.2Å; L153-F159 HydrophobicContact CB-CD2 3.76Å; L153-F159 HydrophobicContact CB-CE2 4.44Å; L153-F159 HydrophobicContact CB-CG 4.14Å; L153-F159 HydrophobicContact CD1-CD2 4.05Å; L153-F159 HydrophobicContact CD1-CE2 3.92Å; L153-A195 HydrophobicContact CD1-CB 3.78Å; L153-A195 HydrophobicContact CG-CB 4.35Å; L153-L199 HydrophobicContact CD1-CD1 4.26Å
154R84.4Confident88.2Confident77 Ų7746.8 Ų46.829%0.29122%0.221SC..THydrogen-bonded Turntrans-59.6-21.7-172.1-67.3-70-83.9169.80.3116.2S150 G151 T152 H156 F159 R160S150-R154 WeakPolarHBondContact O-CD 3.39Å; S150-R154 WeakPolarHBondContact O-CG 3.42Å; S150-R154 PolarHBondContact O-NE 2.61Å; G151-R154 WeakPolarHBondContact O-CG 3.33Å; T152-R154 PolarHBondContact O-N 2.97Å; R154-H156 VanDerWaalsContact C-N 3.31Å; R154-F159 WeakPolarHBondContact CD-O 3.36Å; R154-F159 PolarHBondContact NH1-O 3.4Å; R154-F159 VanDerWaalsContact NH1-O 3.13Å; R154-R160 VanDerWaalsContact CZ-O 3.27Å; R154-R160 PolarHBondContact NH1-O 3.45Å
155K82.4Confident88.2Confident157 Ų15744.4 Ų44.468%0.68322%0.221SC*.THydrogen-bonded Turntrans-77.8-18.3174.2-59.7-174.3178-177.80112.6I51 V52 L153I51-K155 CarbonylContact C-O 3.45Å; I51-K155 WeakPolarHBondContact CA-O 3.42Å; I51-K155 HydrophobicContact CG2-CB 4.04Å; V52-K155 PolarHBondContact N-O 2.83Å; L153-K155 PolarHBondContact O-N 3.21Å
156H86Confident88.2Confident9 Ų946.5 Ų46.54%0.04223%0.23CC..BIsolated β-bridgetrans-82134.4178.5-168.5-77.1000110.2L49 G50 I51 L153 R154 F158 F159 R160 L199L49-H156 PolarHBondContact O-CD2 2.93Å; L49-H156 VanDerWaalsContact O-CD2 3.28Å; L49-H156 PolarHBondContact O-NE2 3Å; G50-H156 CarbonylContact O-C 3.56Å; G50-H156 WeakPolarHBondContact O-CA 3.26Å; I51-H156 HydrophobicContact CD1-CB 4.1Å; L153-H156 HydrophobicContact CB-CB 4.26Å; L153-H156 WeakPolarHBondContact O-CA 3.38Å; L153-H156 VanDerWaalsContact O-CB 3.25Å; L153-H156 WeakPolarHBondContact O-CB 3.34Å; L153-H156 PolarHBondContact O-N 3.38Å; R154-H156 VanDerWaalsContact C-N 3.31Å; H156-F158 AromaticContact CE1-CD2 3.38Å; H156-F158 WeakPolarHBondContact CE1-CD2 3.31Å; H156-F158 AromaticContact CE1-CE2 3.98Å; H156-F158 AromaticContact CE1-CG 3.66Å; H156-F158 WeakPolarHBondContact ND1-CB 3.45Å; H156-F158 AromaticContact ND1-CD2 3.91Å; H156-F158 AromaticContact ND1-CG 3.81Å; H156-F158 PolarHBondContact ND1-N 3.3Å; H156-F158 PolarHBondContact O-N 3.26Å; H156-F158 VanDerWaalsContact O-N 3.12Å; H156-F159 HydrophobicContact CB-CD2 4.49Å; H156-F159 PolarHBondContact O-N 2.95Å; H156-R160 PolarHBondContact O-N 3.26Å; H156-R160 VanDerWaalsContact O-N 3.14Å; H156-L199 VanDerWaalsContact CE1-CD2 3.41Å; H156-L199 WeakPolarHBondContact CE1-CD2 3.45Å
157I86.6Confident88.2Confident45 Ų4545.4 Ų45.423%0.23122%0.224CC..Hα-helixtrans-51.7-41-174.5-167.6172.1000112.7Y42 V46 G50 V52 F159Y42-I157 HydrophobicContact CD1-CD1 4.18Å; V46-I157 HydrophobicContact CG2-CD1 4.4Å; G50-I157 PolarHBondContact O-N 3.38Å; V52-I157 HydrophobicContact CG2-CB 4.05Å; V52-I157 HydrophobicContact CG2-CG1 4.47Å; I157-F159 PolarHBondContact O-N 3.08Å
158F87.5Confident88.3Confident100 Ų10040.4 Ų40.444%0.43921%0.205SC..Hα-helixtrans-63.9-31.3178-70.5-16.6000115.6H156 K166 L199H156-F158 AromaticContact CE1-CD2 3.38Å; H156-F158 WeakPolarHBondContact CE1-CD2 3.31Å; H156-F158 AromaticContact CE1-CE2 3.98Å; H156-F158 AromaticContact CE1-CG 3.66Å; H156-F158 WeakPolarHBondContact ND1-CB 3.45Å; H156-F158 AromaticContact ND1-CD2 3.91Å; H156-F158 AromaticContact ND1-CG 3.81Å; H156-F158 PolarHBondContact ND1-N 3.3Å; H156-F158 PolarHBondContact O-N 3.26Å; H156-F158 VanDerWaalsContact O-N 3.12Å; F158-K166 HydrophobicContact CB-CB 4.11Å; F158-K166 HydrophobicContact CB-CG 3.83Å; F158-K166 HydrophobicContact CG-CG 4.12Å; F158-K166 WeakPolarHBondContact O-CB 3.48Å; F158-L199 HydrophobicContact CD2-CD2 3.89Å
159F88.2Confident88.6Confident0 Ų040.9 Ų40.90%021%0.206CC..Hα-helixtrans-107.94.7-175.6-66-79.5000113.1T152 L153 R154 H156 I157 K166 Q167 L170 A195 L198 L199T152-F159 WeakPolarHBondContact O-CB 3.01Å; L153-F159 HydrophobicContact CB-CB 4.2Å; L153-F159 HydrophobicContact CB-CD2 3.76Å; L153-F159 HydrophobicContact CB-CE2 4.44Å; L153-F159 HydrophobicContact CB-CG 4.14Å; L153-F159 HydrophobicContact CD1-CD2 4.05Å; L153-F159 HydrophobicContact CD1-CE2 3.92Å; R154-F159 WeakPolarHBondContact CD-O 3.36Å; R154-F159 PolarHBondContact NH1-O 3.4Å; R154-F159 VanDerWaalsContact NH1-O 3.13Å; H156-F159 HydrophobicContact CB-CD2 4.49Å; H156-F159 PolarHBondContact O-N 2.95Å; I157-F159 PolarHBondContact O-N 3.08Å; F159-K166 HydrophobicContact CD1-CB 4.31Å; F159-K166 HydrophobicContact CE1-CB 4.01Å; F159-K166 WeakPolarHBondContact CE1-O 3.5Å; F159-K166 HydrophobicContact CZ-CB 4.28Å; F159-Q167 HydrophobicContact CD1-CG 4.21Å; F159-Q167 PolarHBondContact O-NE2 3.12Å; F159-L170 HydrophobicContact CD1-CD2 4.32Å; F159-L170 HydrophobicContact CE1-CB 4.13Å; F159-L170 HydrophobicContact CE1-CD2 3.86Å; F159-A195 HydrophobicContact CE1-CB 4Å; F159-A195 HydrophobicContact CE2-CB 4.02Å; F159-A195 HydrophobicContact CZ-CB 3.6Å; F159-L198 HydrophobicContact CE1-CD2 4.2Å; F159-L198 HydrophobicContact CZ-CB 4.34Å; F159-L198 HydrophobicContact CZ-CD2 4.02Å; F159-L199 HydrophobicContact CD2-CD2 4.29Å; F159-L199 HydrophobicContact CE2-CD2 3.67Å; F159-L199 HydrophobicContact CE2-CG 4.39Å
160R84.6Confident88.7Confident16 Ų1640.9 Ų40.96%0.0621%0.206CC..Hα-helixtrans-68.9-41.6-177.9180-178.8166.3168.6-0.2112.5P36 K37 R154 H156P36-R160 HydrophobicContact CG-CG 4.35Å; P36-R160 PolarHBondContact O-NH2 3.08Å; K37-R160 PolarHBondContact O-NH2 3.07Å; R154-R160 VanDerWaalsContact CZ-O 3.27Å; R154-R160 PolarHBondContact NH1-O 3.45Å; H156-R160 PolarHBondContact O-N 3.26Å; H156-R160 VanDerWaalsContact O-N 3.14Å
161D84.8Confident89Confident54 Ų5439 Ų3929%0.28919%0.194SC..SBendtrans-85.2132.2-175.5-62.3-28.4000110.7G164 Q167D161-G164 PolarHBondContact O-N 2.95Å; D161-Q167 VanDerWaalsContact O-CD 3.24Å; D161-Q167 PolarHBondContact O-NE2 3.39Å; D161-Q167 PolarHBondContact O-OE1 3.27Å
162R89.4Confident89.5Confident21 Ų2137.1 Ų37.18%0.07917%0.171CC..THydrogen-bonded Turntrans-71.6133.8179.3-17362.3-175.6140.5-4.4109.5Y22 H26 D33 D146 G164Y22-R162 PolarHBondContact OH-NH1 3.38Å; H26-R162 PolarHBondContact ND1-O 2.83Å; H26-R162 VanDerWaalsContact ND1-O 3.11Å; D33-R162 WeakPolarHBondContact OD1-CB 3.25Å; D33-R162 WeakPolarHBondContact OD1-CG 3.14Å; D146-R162 IonicContact OD1-CZ 2.61Å; D146-R162 IonicContact OD1-NH1 3.52Å; D146-R162 IonicContact OD1-NH2 2.97Å; D146-R162 PolarHBondContact OD1-NH2 3.35Å; D146-R162 IonicContact OD2-NH2 2.64Å; D146-R162 PolarHBondContact OD2-NH2 3.27Å; R162-G164 PolarHBondContact O-N 3.41Å; R162-G164 VanDerWaalsContact O-N 3.1Å
163Y90.3Very high89.9Confident26 Ų2637.1 Ų37.110%0.10217%0.171CC..THydrogen-bonded Turntrans55.822-170.7-45.1-62.7000113.6K21 Y22 G25 D33 Q167K21-Y163 HydrophobicContact CB-CD1 4.07Å; K21-Y163 HydrophobicContact CB-CD2 4.33Å; K21-Y163 HydrophobicContact CB-CE1 3.79Å; K21-Y163 HydrophobicContact CB-CE2 4.06Å; K21-Y163 HydrophobicContact CB-CG 4.36Å; K21-Y163 HydrophobicContact CD-CE1 4.48Å; K21-Y163 HydrophobicContact CD-CE2 4.47Å; Y22-Y163 AromaticContact CD1-CD1 3.89Å; Y22-Y163 HydrophobicContact CD1-CD1 3.89Å; Y22-Y163 AromaticContact CD2-CD1 3.79Å; Y22-Y163 HydrophobicContact CD2-CD1 3.79Å; Y22-Y163 HydrophobicContact CD2-CE1 4.08Å; Y22-Y163 AromaticContact CE1-CD1 3.89Å; Y22-Y163 HydrophobicContact CE1-CD1 3.89Å; Y22-Y163 AromaticContact CE2-CD1 3.78Å; Y22-Y163 HydrophobicContact CE2-CD1 3.78Å; Y22-Y163 AromaticContact CE2-CE1 3.81Å; Y22-Y163 HydrophobicContact CE2-CE1 3.81Å; Y22-Y163 AromaticContact CG-CD1 3.86Å; Y22-Y163 HydrophobicContact CG-CD1 3.86Å; Y22-Y163 AromaticContact CZ-CD1 3.84Å; G25-Y163 WeakPolarHBondContact CA-O 3.43Å; D33-Y163 VanDerWaalsContact CG-CD2 3.45Å; D33-Y163 WeakPolarHBondContact OD1-CD2 3.41Å; D33-Y163 WeakPolarHBondContact OD1-CE2 3.23Å; D33-Y163 WeakPolarHBondContact OD2-CD2 3.4Å; D33-Y163 WeakPolarHBondContact OD2-CE2 3.45Å; Y163-Q167 VanDerWaalsContact N-OE1 3.09Å
164G89.1Confident90.5Very high11 Ų1135.7 Ų35.711%0.11316%0.164CC..  trans-64.9163.817300000112D161 R162 K166 Q167 R168D161-G164 PolarHBondContact O-N 2.95Å; R162-G164 PolarHBondContact O-N 3.41Å; R162-G164 VanDerWaalsContact O-N 3.1Å; G164-K166 VanDerWaalsContact C-N 3.27Å; G164-K166 PolarHBondContact O-N 2.91Å; G164-K166 VanDerWaalsContact O-N 3.13Å; G164-Q167 PolarHBondContact O-N 3.26Å; G164-R168 PolarHBondContact O-N 3.16Å
165T91Very high91.1Very high72 Ų7232 Ų3244%0.44215%0.15SC..Hα-helixtrans-49.7-45.3-175.2-52.50000113R168 E169T165-R168 WeakPolarHBondContact O-CB 3.26Å; T165-R168 PolarHBondContact O-N 3.04Å; T165-E169 WeakPolarHBondContact O-CG 3.49Å; T165-E169 PolarHBondContact O-N 2.87Å
166K92.5Very high91.7Very high44 Ų4424.5 Ų24.519%0.19112%0.118CC..Hα-helixtrans-75.2-28.8-179.1-65.1-65.1-170.5-178.70113.7F158 F159 G164 E169 L170 L198F158-K166 HydrophobicContact CB-CB 4.11Å; F158-K166 HydrophobicContact CB-CG 3.83Å; F158-K166 HydrophobicContact CG-CG 4.12Å; F158-K166 WeakPolarHBondContact O-CB 3.48Å; F159-K166 HydrophobicContact CD1-CB 4.31Å; F159-K166 HydrophobicContact CE1-CB 4.01Å; F159-K166 WeakPolarHBondContact CE1-O 3.5Å; F159-K166 HydrophobicContact CZ-CB 4.28Å; G164-K166 VanDerWaalsContact C-N 3.27Å; G164-K166 PolarHBondContact O-N 2.91Å; G164-K166 VanDerWaalsContact O-N 3.13Å; K166-E169 WeakPolarHBondContact CD-OE2 3.5Å; K166-E169 WeakPolarHBondContact CE-OE2 3.31Å; K166-E169 IonicContact NZ-OE1 3.63Å; K166-E169 IonicContact NZ-OE2 3.16Å; K166-E169 PolarHBondContact NZ-OE2 3.16Å; K166-L170 VanDerWaalsContact O-CB 3.26Å; K166-L170 WeakPolarHBondContact O-CB 3.48Å; K166-L170 PolarHBondContact O-N 2.58Å; K166-L198 HydrophobicContact CB-CD2 4.46Å; K166-L198 HydrophobicContact CD-CD2 4.15Å; K166-L198 HydrophobicContact CD-CG 4.11Å; K166-L198 WeakPolarHBondContact O-CD2 3.43Å
167Q93.7Very high92Very high0 Ų024.3 Ų24.30%012%0.117CC..Hα-helixtrans-67.9-38.4169.3-69.9-161.3-8.400111.4Y22 V149 F159 D161 Y163 G164 L170 L171Y22-Q167 HydrophobicContact CE1-CB 4.12Å; V149-Q167 HydrophobicContact CG1-CB 3.83Å; V149-Q167 HydrophobicContact CG1-CG 4.14Å; F159-Q167 HydrophobicContact CD1-CG 4.21Å; F159-Q167 PolarHBondContact O-NE2 3.12Å; D161-Q167 VanDerWaalsContact O-CD 3.24Å; D161-Q167 PolarHBondContact O-NE2 3.39Å; D161-Q167 PolarHBondContact O-OE1 3.27Å; Y163-Q167 VanDerWaalsContact N-OE1 3.09Å; G164-Q167 PolarHBondContact O-N 3.26Å; Q167-L170 WeakPolarHBondContact O-CB 3.31Å; Q167-L170 PolarHBondContact O-N 3.05Å; Q167-L171 PolarHBondContact O-N 3.09Å
168R94.7Very high92.3Very high73 Ų7323.2 Ų23.228%0.27511%0.11SC..Hα-helixtrans-65.1-48.9175.2179.5176.967.3-165.30.7112.3Y22 G164 T165 L170 L171 H172Y22-R168 HydrophobicContact CD1-CB 3.96Å; Y22-R168 HydrophobicContact CD1-CG 4.48Å; Y22-R168 WeakPolarHBondContact O-CD 3.11Å; G164-R168 PolarHBondContact O-N 3.16Å; T165-R168 WeakPolarHBondContact O-CB 3.26Å; T165-R168 PolarHBondContact O-N 3.04Å; R168-L170 PolarHBondContact O-N 2.9Å; R168-L171 WeakPolarHBondContact O-CB 3.37Å; R168-L171 PolarHBondContact O-N 3.43Å; R168-H172 VanDerWaalsContact CG-CE1 3.43Å; R168-H172 WeakPolarHBondContact CG-CE1 3.36Å; R168-H172 VanDerWaalsContact O-CG 3.25Å; R168-H172 PolarHBondContact O-N 2.91Å; R168-H172 PolarHBondContact O-ND1 3.14Å
169E96.1Very high92.5Very high33 Ų3321.5 Ų21.515%0.15410%0.104CC..Hα-helixtrans-55.7-42.4173.4-73.9177.7-165.300111.1T165 K166 H172 I173 L198 E203T165-E169 WeakPolarHBondContact O-CG 3.49Å; T165-E169 PolarHBondContact O-N 2.87Å; K166-E169 WeakPolarHBondContact CD-OE2 3.5Å; K166-E169 WeakPolarHBondContact CE-OE2 3.31Å; K166-E169 IonicContact NZ-OE1 3.63Å; K166-E169 IonicContact NZ-OE2 3.16Å; K166-E169 PolarHBondContact NZ-OE2 3.16Å; E169-H172 PolarHBondContact O-N 2.85Å; E169-I173 VanDerWaalsContact O-CG1 3.31Å; E169-I173 WeakPolarHBondContact O-CG1 3.19Å; E169-I173 PolarHBondContact O-N 2.82Å; E169-I173 VanDerWaalsContact O-N 3.09Å; E169-L198 HydrophobicContact CB-CD1 4.13Å; E169-L198 HydrophobicContact CB-CD2 3.68Å; E169-L198 HydrophobicContact CB-CG 4.45Å; E169-L198 VanDerWaalsContact OE2-CD1 3.3Å; E169-L198 WeakPolarHBondContact OE2-CD1 3.42Å; E169-E203 HydrophobicContact CB-CB 4.39Å; E169-E203 HydrophobicContact CB-CG 4Å; E169-E203 HydrophobicContact CG-CB 4.18Å; E169-E203 HydrophobicContact CG-CG 4.13Å; E169-E203 WeakPolarHBondContact CG-OE2 3.4Å
170L96.1Very high92.6Very high0 Ų023.7 Ų23.70%011%0.112CC..Hα-helixtrans-62.4-45.5176.1-18060.4000112.4V149 T152 F159 K166 Q167 R168 H172 I173 L174 S191 A194 A195 L198V149-L170 HydrophobicContact CB-CD2 4.44Å; V149-L170 HydrophobicContact CG1-CD2 4.22Å; V149-L170 HydrophobicContact CG2-CD2 3.96Å; V149-L170 HydrophobicContact CG2-CG 3.97Å; T152-L170 HydrophobicContact CG2-CD2 4.09Å; F159-L170 HydrophobicContact CD1-CD2 4.32Å; F159-L170 HydrophobicContact CE1-CB 4.13Å; F159-L170 HydrophobicContact CE1-CD2 3.86Å; K166-L170 VanDerWaalsContact O-CB 3.26Å; K166-L170 WeakPolarHBondContact O-CB 3.48Å; K166-L170 PolarHBondContact O-N 2.58Å; Q167-L170 WeakPolarHBondContact O-CB 3.31Å; Q167-L170 PolarHBondContact O-N 3.05Å; R168-L170 PolarHBondContact O-N 2.9Å; L170-H172 VanDerWaalsContact C-N 3.32Å; L170-H172 PolarHBondContact O-N 3.43Å; L170-I173 PolarHBondContact O-N 3.25Å; L170-L174 HydrophobicContact CD1-CD1 4.19Å; L170-L174 HydrophobicContact CD1-CG 4.34Å; L170-L174 HydrophobicContact CG-CD1 4.15Å; L170-L174 VanDerWaalsContact O-CG 3.3Å; L170-L174 WeakPolarHBondContact O-CG 3.38Å; L170-L174 PolarHBondContact O-N 2.97Å; L170-L174 VanDerWaalsContact O-N 3.17Å; L170-S191 WeakPolarHBondContact CD1-O 3.46Å; L170-A194 HydrophobicContact CD1-CB 3.46Å; L170-A194 VanDerWaalsContact CD1-CB 3.46Å; L170-A195 HydrophobicContact CD1-CB 4.11Å; L170-A195 HydrophobicContact CD2-CB 3.91Å; L170-L198 HydrophobicContact CB-CD2 4.1Å
171L96.2Very high92.7Very high3 Ų324.4 Ų24.42%0.01612%0.117CC..Hα-helixtrans-56.1-48.6174.8-175.186.6000110.8Y22 I145 Q167 R168 I173 L174 L175Y22-L171 HydrophobicContact CD1-CB 4.3Å; Y22-L171 HydrophobicContact CD1-CD2 4.12Å; Y22-L171 HydrophobicContact CD2-CD1 4.45Å; Y22-L171 HydrophobicContact CD2-CD2 3.51Å; Y22-L171 HydrophobicContact CD2-CG 4.47Å; Y22-L171 HydrophobicContact CE1-CB 4.06Å; Y22-L171 HydrophobicContact CE1-CD2 4.36Å; Y22-L171 HydrophobicContact CE2-CD1 3.86Å; Y22-L171 HydrophobicContact CE2-CD2 3.79Å; Y22-L171 HydrophobicContact CE2-CG 4.31Å; Y22-L171 HydrophobicContact CG-CD2 3.67Å; I145-L171 HydrophobicContact CG2-CD1 3.74Å; Q167-L171 PolarHBondContact O-N 3.09Å; R168-L171 WeakPolarHBondContact O-CB 3.37Å; R168-L171 PolarHBondContact O-N 3.43Å; L171-I173 VanDerWaalsContact C-N 3.34Å; L171-I173 PolarHBondContact O-N 3.47Å; L171-L174 PolarHBondContact O-N 2.76Å; L171-L175 HydrophobicContact CD2-CD1 4.04Å; L171-L175 HydrophobicContact CG-CD1 3.91Å; L171-L175 HydrophobicContact CG-CG 4.33Å; L171-L175 WeakPolarHBondContact O-CG 3.49Å; L171-L175 PolarHBondContact O-N 3.35Å
172H96.3Very high92.6Very high7 Ų726.4 Ų26.43%0.03213%0.133CC..Hα-helixtrans-57.8-44.3-179.8-65.1157.1000112.9E23 K132 K136 R168 E169 L170 L174 L175 A176 E203E23-H172 IonicContact OE1-NE2 3.47Å; K132-H172 HydrophobicContact CD-CB 3.97Å; K132-H172 VanDerWaalsContact CE-CE1 3.45Å; K132-H172 WeakPolarHBondContact CE-CE1 3.48Å; K132-H172 VanDerWaalsContact CE-ND1 3.26Å; K132-H172 WeakPolarHBondContact CE-ND1 3.26Å; K132-H172 HydrophobicContact CG-CB 4.15Å; K132-H172 PolarHBondContact NZ-CE1 3.47Å; K132-H172 PolarHBondContact NZ-ND1 3.29Å; K132-H172 VanDerWaalsContact NZ-ND1 3.11Å; K136-H172 WeakPolarHBondContact CE-NE2 3.49Å; R168-H172 VanDerWaalsContact CG-CE1 3.43Å; R168-H172 WeakPolarHBondContact CG-CE1 3.36Å; R168-H172 VanDerWaalsContact O-CG 3.25Å; R168-H172 PolarHBondContact O-N 2.91Å; R168-H172 PolarHBondContact O-ND1 3.14Å; E169-H172 PolarHBondContact O-N 2.85Å; L170-H172 VanDerWaalsContact C-N 3.32Å; L170-H172 PolarHBondContact O-N 3.43Å; H172-L174 VanDerWaalsContact C-N 3.32Å; H172-L174 PolarHBondContact O-N 3.19Å; H172-L175 PolarHBondContact O-N 2.99Å; H172-A176 VanDerWaalsContact O-CB 3.3Å; H172-A176 WeakPolarHBondContact O-CB 3.45Å; H172-A176 PolarHBondContact O-N 3.37Å; H172-E203 IonicContact CG-OE1 3.94Å; H172-E203 IonicContact ND1-OE1 2.65Å; H172-E203 IonicContact ND1-OE2 3.64Å; H172-E203 PolarHBondContact ND1-OE2 3.01Å
173I96.4Very high92.1Very high0 Ų033.6 Ų33.60%017%0.168CC..Hα-helixtrans-61.4-43178.7-68.8163.6000110.8E169 L170 L171 A176 Y177 A194 L198 E203 A206 F207 L210E169-I173 VanDerWaalsContact O-CG1 3.31Å; E169-I173 WeakPolarHBondContact O-CG1 3.19Å; E169-I173 PolarHBondContact O-N 2.82Å; E169-I173 VanDerWaalsContact O-N 3.09Å; L170-I173 PolarHBondContact O-N 3.25Å; L171-I173 VanDerWaalsContact C-N 3.34Å; L171-I173 PolarHBondContact O-N 3.47Å; I173-A176 PolarHBondContact O-N 2.65Å; I173-Y177 WeakPolarHBondContact O-CB 3.36Å; I173-Y177 PolarHBondContact O-N 3.32Å; I173-A194 HydrophobicContact CG2-CB 3.99Å; I173-L198 HydrophobicContact CD1-CD1 3.81Å; I173-L198 HydrophobicContact CD1-CD2 4.45Å; I173-E203 HydrophobicContact CD1-CG 4.18Å; I173-E203 WeakPolarHBondContact CD1-O 3.38Å; I173-E203 HydrophobicContact CG1-CG 4Å; I173-A206 HydrophobicContact CD1-CB 3.81Å; I173-F207 HydrophobicContact CG1-CB 4.26Å; I173-F207 HydrophobicContact CG2-CB 4.17Å; I173-F207 HydrophobicContact CG2-CD2 4.35Å; I173-L210 HydrophobicContact CG2-CD2 4.19Å
174L95.1Very high91.5Very high1 Ų134.5 Ų34.51%0.00518%0.176CC..Hα-helixtrans-70.3-41.5-177.9-62.9173.7000111.9I145 V149 L170 L171 H172 Y177 E178 Y186 L190 A194I145-L174 HydrophobicContact CD1-CB 4.43Å; I145-L174 HydrophobicContact CG2-CB 3.8Å; I145-L174 HydrophobicContact CG2-CD1 3.67Å; I145-L174 HydrophobicContact CG2-CG 4.4Å; V149-L174 HydrophobicContact CG2-CD1 3.85Å; L170-L174 HydrophobicContact CD1-CD1 4.19Å; L170-L174 HydrophobicContact CD1-CG 4.34Å; L170-L174 HydrophobicContact CG-CD1 4.15Å; L170-L174 VanDerWaalsContact O-CG 3.3Å; L170-L174 WeakPolarHBondContact O-CG 3.38Å; L170-L174 PolarHBondContact O-N 2.97Å; L170-L174 VanDerWaalsContact O-N 3.17Å; L171-L174 PolarHBondContact O-N 2.76Å; H172-L174 VanDerWaalsContact C-N 3.32Å; H172-L174 PolarHBondContact O-N 3.19Å; L174-Y177 PolarHBondContact O-N 2.91Å; L174-E178 PolarHBondContact O-N 3.06Å; L174-Y186 HydrophobicContact CB-CE2 4.28Å; L174-Y186 HydrophobicContact CD1-CE2 4.01Å; L174-Y186 HydrophobicContact CD2-CE2 4.04Å; L174-Y186 HydrophobicContact CG-CE2 4.31Å; L174-L190 HydrophobicContact CD2-CB 3.88Å; L174-A194 HydrophobicContact CD2-CB 4.07Å
175L95.2Very high91Very high0 Ų034.5 Ų34.50%018%0.175CC..Hα-helixtrans-62.4-43.6173.6-67.8174000111.6K136 S139 I142 I145 L171 H172 Y177 E178 E179K136-L175 HydrophobicContact CG-CD1 4.09Å; S139-L175 VanDerWaalsContact CB-CD2 3.44Å; S139-L175 WeakPolarHBondContact OG-CD2 3.39Å; I142-L175 HydrophobicContact CG1-CD2 4.37Å; I145-L175 HydrophobicContact CD1-CD2 3.86Å; L171-L175 HydrophobicContact CD2-CD1 4.04Å; L171-L175 HydrophobicContact CG-CD1 3.91Å; L171-L175 HydrophobicContact CG-CG 4.33Å; L171-L175 WeakPolarHBondContact O-CG 3.49Å; L171-L175 PolarHBondContact O-N 3.35Å; H172-L175 PolarHBondContact O-N 2.99Å; L175-Y177 VanDerWaalsContact C-N 3.29Å; L175-Y177 PolarHBondContact O-N 3.37Å; L175-E178 PolarHBondContact O-N 3.08Å; L175-E179 PolarHBondContact O-N 3.4Å
176A95.6Very high90.6Very high0 Ų031.7 Ų31.70%016%0.157CC..Hα-helixtrans-65.7-33176.600000112.2Y128 M131 K132 H172 I173 Y180 F207Y128-A176 HydrophobicContact CD2-CB 4.01Å; Y128-A176 HydrophobicContact CE2-CB 3.66Å; M131-A176 HydrophobicContact CB-CB 4.11Å; K132-A176 HydrophobicContact CB-CB 4.33Å; H172-A176 VanDerWaalsContact O-CB 3.3Å; H172-A176 WeakPolarHBondContact O-CB 3.45Å; H172-A176 PolarHBondContact O-N 3.37Å; I173-A176 PolarHBondContact O-N 2.65Å; A176-Y180 WeakPolarHBondContact O-CB 3.38Å; A176-Y180 PolarHBondContact O-N 2.92Å; A176-F207 HydrophobicContact CB-CD2 3.95Å; A176-F207 HydrophobicContact CB-CE2 3.81Å
177Y93.1Very high90.1Very high5 Ų532.1 Ų32.12%0.0217%0.165CC..Hα-helixtrans-70.4-40.9177.6-175.3-90.5000112.3I173 L174 L175 E179 Y180 N181 L190 L210 V211 L214I173-Y177 WeakPolarHBondContact O-CB 3.36Å; I173-Y177 PolarHBondContact O-N 3.32Å; L174-Y177 PolarHBondContact O-N 2.91Å; L175-Y177 VanDerWaalsContact C-N 3.29Å; L175-Y177 PolarHBondContact O-N 3.37Å; Y177-E179 VanDerWaalsContact C-N 3.28Å; Y177-E179 PolarHBondContact O-N 3.04Å; Y177-Y180 PolarHBondContact O-N 3.28Å; Y177-Y180 VanDerWaalsContact O-N 3.09Å; Y177-N181 PolarHBondContact O-N 3.41Å; Y177-L190 HydrophobicContact CD1-CD1 3.66Å; Y177-L190 HydrophobicContact CE1-CD1 3.64Å; Y177-L190 HydrophobicContact CE1-CD2 4.43Å; Y177-L210 HydrophobicContact CD2-CD2 3.79Å; Y177-L210 HydrophobicContact CD2-CG 4.13Å; Y177-L210 HydrophobicContact CE2-CD2 4.4Å; Y177-L210 HydrophobicContact CE2-CG 4.33Å; Y177-L210 HydrophobicContact CG-CD2 4Å; Y177-V211 HydrophobicContact CD2-CG2 4.14Å; Y177-V211 HydrophobicContact CE2-CG2 4.34Å; Y177-L214 HydrophobicContact CE1-CD1 4.29Å; Y177-L214 HydrophobicContact CE2-CD1 3.65Å; Y177-L214 VanDerWaalsContact CZ-CD1 3.44Å; Y177-L214 WeakPolarHBondContact OH-CD1 3.28Å
178E92Very high89.6Confident21 Ų2136.6 Ų36.610%0.09818%0.182CC..Hα-helixtrans-56.6-42.9174.4-172.8-177.8-178.800111.3S139 E140 H141 L174 L175 N181 P182S139-E178 VanDerWaalsContact CB-OE2 3.27Å; S139-E178 WeakPolarHBondContact CB-OE2 3.27Å; S139-E178 PolarHBondContact OG-OE1 2.8Å; S139-E178 PolarHBondContact OG-OE2 3.14Å; E140-E178 PolarHBondContact N-OE1 2.88Å; H141-E178 IonicContact CE1-OE1 3.77Å; H141-E178 IonicContact CG-OE1 3.55Å; H141-E178 PolarHBondContact N-OE1 3.08Å; H141-E178 IonicContact ND1-OE1 2.72Å; H141-E178 PolarHBondContact ND1-OE1 3.22Å; L174-E178 PolarHBondContact O-N 3.06Å; L175-E178 PolarHBondContact O-N 3.08Å; E178-N181 CarbonylContact O-C 3.54Å; E178-P182 WeakPolarHBondContact O-CA 3.41Å
179E92.7Very high88.8Confident65 Ų6533.8 Ų33.830%0.30417%0.172SC..Hα-helixtrans-71.4-32.6174.9-178.467.9-162.900112.7M131 K134 S138 L175 Y177M131-E179 HydrophobicContact CB-CB 4.23Å; M131-E179 HydrophobicContact CB-CG 4.08Å; M131-E179 HydrophobicContact CG-CG 4.02Å; K134-E179 HydrophobicContact CB-CG 4.04Å; K134-E179 HydrophobicContact CD-CG 4.24Å; K134-E179 WeakPolarHBondContact CD-OE1 3.23Å; K134-E179 IonicContact NZ-OE1 2.63Å; S138-E179 PolarHBondContact OG-OE2 3.28Å; L175-E179 PolarHBondContact O-N 3.4Å; Y177-E179 VanDerWaalsContact C-N 3.28Å; Y177-E179 PolarHBondContact O-N 3.04Å
180Y90.6Very high88.4Confident46 Ų4632.6 Ų32.618%0.1817%0.167CC..Hα-helixtrans-68.1-37.8178.8-178.3-93.2000112.3M131 A176 Y177 F207 W208 V211M131-Y180 HydrophobicContact CE-CD2 3.9Å; M131-Y180 HydrophobicContact SD-CD2 3.62Å; M131-Y180 HydrophobicContact SD-CG 4.17Å; A176-Y180 WeakPolarHBondContact O-CB 3.38Å; A176-Y180 PolarHBondContact O-N 2.92Å; Y177-Y180 PolarHBondContact O-N 3.28Å; Y177-Y180 VanDerWaalsContact O-N 3.09Å; Y180-F207 HydrophobicContact CD2-CZ 4.17Å; Y180-F207 HydrophobicContact CG-CZ 4.19Å; Y180-W208 HydrophobicContact CE2-CZ3 4.19Å; Y180-V211 HydrophobicContact CD1-CG1 4.26Å; Y180-V211 HydrophobicContact CD1-CG2 3.99Å; Y180-V211 HydrophobicContact CE1-CB 4.43Å; Y180-V211 HydrophobicContact CE1-CG1 3.5Å; Y180-V211 VanDerWaalsContact CE1-CG1 3.5Å; Y180-V211 HydrophobicContact CE1-CG2 4.08Å; Y180-V211 HydrophobicContact CE2-CG1 4.32Å; Y180-V211 HydrophobicContact CG-CG2 4.29Å
181N85.7Confident88.1Confident31 Ų3132.6 Ų32.617%0.16617%0.167CC..  trans-137.776.7-178.5-166.3-6.2000111.6Y177 E178 E183 V184 G185Y177-N181 PolarHBondContact O-N 3.41Å; E178-N181 CarbonylContact O-C 3.54Å; N181-E183 PolarHBondContact O-N 3.34Å; N181-V184 WeakPolarHBondContact ND2-CG2 3.36Å; N181-V184 PolarHBondContact O-N 3.09Å; N181-V184 PolarHBondContact OD1-N 3.44Å; N181-G185 PolarHBondContact O-N 3.33Å; N181-G185 VanDerWaalsContact O-N 3.11Å
182P83.1Confident87.7Confident95 Ų9534 Ų3462%0.61717%0.173SC*.THydrogen-bonded Turntrans-63-25.9-176.925.2-34.8000113E178 G185E178-P182 WeakPolarHBondContact O-CA 3.41Å; P182-G185 PolarHBondContact O-N 3.47Å
183E79.1Confident87.3Confident173 Ų17333.7 Ų33.781%0.80817%0.172SC*.THydrogen-bonded Turntrans-66.9-37.1179-60.5-64.2157.300112.8N181N181-E183 PolarHBondContact O-N 3.34Å
184V76.3Confident87.1Confident45 Ų4533.7 Ų33.727%0.27317%0.172SC..THydrogen-bonded Turntrans-80.8-32.9174.6174.20000110.3N181N181-V184 WeakPolarHBondContact ND2-CG2 3.36Å; N181-V184 PolarHBondContact O-N 3.09Å; N181-V184 PolarHBondContact OD1-N 3.44Å
185G78.5Confident87Confident10 Ų1033.7 Ų33.710%0.10317%0.172CC..  trans59.8-151.8-175.200000112.2N181 P182N181-G185 PolarHBondContact O-N 3.33Å; N181-G185 VanDerWaalsContact O-N 3.11Å; P182-G185 PolarHBondContact O-N 3.47Å
186Y83Confident86.8Confident14 Ų1433.9 Ų33.96%0.05517%0.173CC..  trans-98.8126179.8179.1-104.6000113H141 R144 I145 D148 L174 L190H141-Y186 HydrophobicContact CB-CD1 4.44Å; H141-Y186 HydrophobicContact CB-CG 4.44Å; R144-Y186 HydrophobicContact CB-CE1 4.5Å; R144-Y186 HydrophobicContact CG-CD1 4.23Å; R144-Y186 HydrophobicContact CG-CE1 4Å; I145-Y186 HydrophobicContact CD1-CD2 4.14Å; I145-Y186 HydrophobicContact CD1-CG 4.23Å; I145-Y186 HydrophobicContact CG1-CD1 3.79Å; I145-Y186 HydrophobicContact CG1-CD2 3.71Å; I145-Y186 HydrophobicContact CG1-CE1 3.86Å; I145-Y186 HydrophobicContact CG1-CE2 3.77Å; I145-Y186 HydrophobicContact CG1-CG 3.7Å; D148-Y186 WeakPolarHBondContact CB-OH 3.47Å; D148-Y186 WeakPolarHBondContact OD2-CE1 3.3Å; D148-Y186 PolarHBondContact OD2-OH 3.49Å; L174-Y186 HydrophobicContact CB-CE2 4.28Å; L174-Y186 HydrophobicContact CD1-CE2 4.01Å; L174-Y186 HydrophobicContact CD2-CE2 4.04Å; L174-Y186 HydrophobicContact CG-CE2 4.31Å; Y186-L190 HydrophobicContact CD2-CD1 4.26Å; Y186-L190 HydrophobicContact CE2-CB 4.34Å
187C82.6Confident86.7Confident52 Ų5234 Ų3435%0.35117%0.173SC..  trans-113.6138.1168.1-177.90000110.8D189 L190C187-D189 PolarHBondContact O-N 3.23Å; C187-L190 HydrophobicContact CB-CD1 4.4Å; C187-L190 HydrophobicContact CB-CG 4.26Å; C187-L190 VanDerWaalsContact O-CB 3.24Å; C187-L190 WeakPolarHBondContact O-CB 3.36Å; C187-L190 VanDerWaalsContact O-CG 3.32Å; C187-L190 WeakPolarHBondContact O-CG 3.14Å; C187-L190 PolarHBondContact O-N 3.11Å
188R82.3Confident86.8Confident95 Ų9533.8 Ų33.836%0.35817%0.173SC..THydrogen-bonded Turntrans-50.7-35.8179.9175.5175.467.7-165.2-3.7113.4D148 L190 S191D148-R188 WeakPolarHBondContact OD2-CA 3.33Å; D148-R188 WeakPolarHBondContact OD2-CB 3.42Å; D148-R188 WeakPolarHBondContact OD2-CG 3.39Å; R188-L190 PolarHBondContact O-N 2.9Å; R188-S191 PolarHBondContact O-N 2.85Å
189D79.8Confident86.7Confident13 Ų1333.8 Ų33.87%0.0717%0.173CC..Hα-helixtrans-65.1-26.3-177.2-62.2-24.5000111.7C187 S191 H192 I193 G267 I270 R271C187-D189 PolarHBondContact O-N 3.23Å; D189-S191 VanDerWaalsContact C-N 3.31Å; D189-S191 PolarHBondContact O-N 3.31Å; D189-H192 PolarHBondContact O-N 3.46Å; D189-I193 WeakPolarHBondContact O-CG1 3.33Å; D189-I193 PolarHBondContact O-N 3.16Å; D189-G267 VanDerWaalsContact OD2-CA 3.26Å; D189-G267 WeakPolarHBondContact OD2-CA 3.36Å; D189-I270 HydrophobicContact CB-CG2 4.18Å; D189-R271 IonicContact OD1-NE 3.87Å
190L87.3Confident86.8Confident8 Ų832.8 Ų32.84%0.04217%0.167CC..Hα-helixtrans-61.4-36.2179.7-62.3176.2000112.8L174 Y177 Y186 C187 R188 H192 I193 A194 L210 L214L174-L190 HydrophobicContact CD2-CB 3.88Å; Y177-L190 HydrophobicContact CD1-CD1 3.66Å; Y177-L190 HydrophobicContact CE1-CD1 3.64Å; Y177-L190 HydrophobicContact CE1-CD2 4.43Å; Y186-L190 HydrophobicContact CD2-CD1 4.26Å; Y186-L190 HydrophobicContact CE2-CB 4.34Å; C187-L190 HydrophobicContact CB-CD1 4.4Å; C187-L190 HydrophobicContact CB-CG 4.26Å; C187-L190 VanDerWaalsContact O-CB 3.24Å; C187-L190 WeakPolarHBondContact O-CB 3.36Å; C187-L190 VanDerWaalsContact O-CG 3.32Å; C187-L190 WeakPolarHBondContact O-CG 3.14Å; C187-L190 PolarHBondContact O-N 3.11Å; R188-L190 PolarHBondContact O-N 2.9Å; L190-H192 VanDerWaalsContact C-N 3.28Å; L190-H192 PolarHBondContact O-N 2.87Å; L190-I193 HydrophobicContact CD2-CD1 4.25Å; L190-I193 PolarHBondContact O-N 3.05Å; L190-A194 VanDerWaalsContact O-CB 3.32Å; L190-A194 WeakPolarHBondContact O-CB 3.41Å; L190-A194 PolarHBondContact O-N 3.31Å; L190-L210 HydrophobicContact CD2-CD1 4.19Å; L190-L214 HydrophobicContact CD2-CD1 3.52Å
191S90Very high86.9Confident0 Ų030.9 Ų30.90%016%0.16CC..Hα-helixtrans-56.3-44.6-179.8-173.80000111.6T152 L170 R188 D189 A195T152-S191 PolarHBondContact OG1-OG 2.63Å; L170-S191 WeakPolarHBondContact CD1-O 3.46Å; R188-S191 PolarHBondContact O-N 2.85Å; D189-S191 VanDerWaalsContact C-N 3.31Å; D189-S191 PolarHBondContact O-N 3.31Å; S191-A195 VanDerWaalsContact O-CB 3.23Å; S191-A195 WeakPolarHBondContact O-CB 3.33Å; S191-A195 PolarHBondContact O-N 3.34Å
192H87Confident87.4Confident32 Ų3233 Ų3315%0.14818%0.175CC..Hα-helixtrans-75.4-35-177.9-60.992.5000113.1D189 L190 L196 I270 I274D189-H192 PolarHBondContact O-N 3.46Å; L190-H192 VanDerWaalsContact C-N 3.28Å; L190-H192 PolarHBondContact O-N 2.87Å; H192-L196 WeakPolarHBondContact O-CB 3.4Å; H192-L196 PolarHBondContact O-N 3.02Å; H192-I270 HydrophobicContact CB-CG2 4.5Å; H192-I274 HydrophobicContact CB-CD1 3.28Å; H192-I274 HydrophobicContact CB-CG1 4.18Å; H192-I274 HydrophobicContact CB-CG2 4.21Å; H192-I274 VanDerWaalsContact CD2-CG2 3.43Å; H192-I274 WeakPolarHBondContact CD2-CG2 3.31Å
193I88.5Confident88Confident2 Ų230 Ų301%0.0115%0.153CC..Hα-helixtrans-63.4-51174.1-54167.3000109.9D189 L190 A195 L196 F197 L210 L213 I270 W286D189-I193 WeakPolarHBondContact O-CG1 3.33Å; D189-I193 PolarHBondContact O-N 3.16Å; L190-I193 HydrophobicContact CD2-CD1 4.25Å; L190-I193 PolarHBondContact O-N 3.05Å; I193-A195 VanDerWaalsContact C-N 3.29Å; I193-A195 PolarHBondContact O-N 3.44Å; I193-L196 WeakPolarHBondContact O-CB 3.18Å; I193-L196 PolarHBondContact O-N 3.3Å; I193-L196 VanDerWaalsContact O-N 3.14Å; I193-F197 HydrophobicContact CG2-CD2 3.91Å; I193-F197 HydrophobicContact CG2-CE2 3.56Å; I193-F197 HydrophobicContact CG2-CZ 4.43Å; I193-F197 PolarHBondContact O-N 3.09Å; I193-F197 VanDerWaalsContact O-N 3.08Å; I193-L210 HydrophobicContact CB-CD1 4Å; I193-L210 HydrophobicContact CD1-CD1 4.22Å; I193-L210 HydrophobicContact CG2-CD1 3.7Å; I193-L213 HydrophobicContact CG2-CD2 3.77Å; I193-I270 HydrophobicContact CD1-CD1 3.2Å; I193-I270 HydrophobicContact CD1-CG1 4.14Å; I193-I270 HydrophobicContact CG1-CD1 3.46Å; I193-I270 VanDerWaalsContact CG1-CD1 3.46Å; I193-I270 HydrophobicContact CG1-CG1 3.85Å; I193-I270 HydrophobicContact CG1-CG2 3.87Å; I193-W286 HydrophobicContact CG2-CH2 3.99Å
194A92.8Very high88.8Confident0 Ų024.5 Ų24.50%013%0.127CC..Hα-helixtrans-60.5-42.2-17900000110.6L170 I173 L174 L190 L196 F197 L198 L210L170-A194 HydrophobicContact CD1-CB 3.46Å; L170-A194 VanDerWaalsContact CD1-CB 3.46Å; I173-A194 HydrophobicContact CG2-CB 3.99Å; L174-A194 HydrophobicContact CD2-CB 4.07Å; L190-A194 VanDerWaalsContact O-CB 3.32Å; L190-A194 WeakPolarHBondContact O-CB 3.41Å; L190-A194 PolarHBondContact O-N 3.31Å; A194-L196 VanDerWaalsContact C-N 3.33Å; A194-L196 PolarHBondContact O-N 3.48Å; A194-F197 PolarHBondContact O-N 3.39Å; A194-L198 VanDerWaalsContact O-CB 3.31Å; A194-L198 WeakPolarHBondContact O-CB 3.32Å; A194-L198 PolarHBondContact O-N 2.52Å; A194-L210 HydrophobicContact CB-CD2 4.32Å
195A92.4Very high89.8Confident0 Ų023.1 Ų23.10%012%0.118CC..Hα-helixtrans-61.9-39176.200000112.7T152 L153 F159 L170 S191 I193 L198 L199T152-A195 HydrophobicContact CG2-CB 3.35Å; L153-A195 HydrophobicContact CD1-CB 3.78Å; L153-A195 HydrophobicContact CG-CB 4.35Å; F159-A195 HydrophobicContact CE1-CB 4Å; F159-A195 HydrophobicContact CE2-CB 4.02Å; F159-A195 HydrophobicContact CZ-CB 3.6Å; L170-A195 HydrophobicContact CD1-CB 4.11Å; L170-A195 HydrophobicContact CD2-CB 3.91Å; S191-A195 VanDerWaalsContact O-CB 3.23Å; S191-A195 WeakPolarHBondContact O-CB 3.33Å; S191-A195 PolarHBondContact O-N 3.34Å; I193-A195 VanDerWaalsContact C-N 3.29Å; I193-A195 PolarHBondContact O-N 3.44Å; A195-L198 PolarHBondContact O-N 2.77Å; A195-L199 WeakPolarHBondContact O-CG 3.36Å; A195-L199 PolarHBondContact O-N 3.15Å
196L90.9Very high90.6Very high5 Ų522.6 Ų22.63%0.02611%0.113CC..Hα-helixtrans-63.4-44.2176.1-173.374.2000111.9W111 H192 I193 A194 L198 L199 L279 L283 W286W111-L196 HydrophobicContact CH2-CG 4.39Å; H192-L196 WeakPolarHBondContact O-CB 3.4Å; H192-L196 PolarHBondContact O-N 3.02Å; I193-L196 WeakPolarHBondContact O-CB 3.18Å; I193-L196 PolarHBondContact O-N 3.3Å; I193-L196 VanDerWaalsContact O-N 3.14Å; A194-L196 VanDerWaalsContact C-N 3.33Å; A194-L196 PolarHBondContact O-N 3.48Å; L196-L198 VanDerWaalsContact C-N 3.32Å; L196-L199 HydrophobicContact CD1-CD1 4.3Å; L196-L199 WeakPolarHBondContact O-CB 3.46Å; L196-L199 PolarHBondContact O-N 3.03Å; L196-L279 HydrophobicContact CD1-CD1 3.97Å; L196-L283 HydrophobicContact CD1-CD2 3.6Å; L196-L283 HydrophobicContact CD1-CG 4.43Å; L196-L283 HydrophobicContact CG-CD2 4.33Å; L196-W286 HydrophobicContact CD2-CB 4.42Å; L196-W286 HydrophobicContact CD2-CD2 3.64Å; L196-W286 VanDerWaalsContact CD2-CE2 3.45Å; L196-W286 HydrophobicContact CD2-CE3 4.47Å; L196-W286 HydrophobicContact CD2-CG 3.56Å; L196-W286 HydrophobicContact CD2-CZ2 4.14Å
197F93.4Very high91.2Very high1 Ų122 Ų220%0.00411%0.111CC..Hα-helixtrans-62.6-41.9174.4-74.2-47.9000111.5W111 L115 I193 A194 L199 Y200 L201 A206 A209 L213 W286W111-F197 AromaticContact CE3-CD1 3.74Å; W111-F197 HydrophobicContact CE3-CD1 3.74Å; W111-F197 HydrophobicContact CE3-CE1 4.12Å; W111-F197 AromaticContact CZ3-CD1 3.88Å; W111-F197 HydrophobicContact CZ3-CD1 3.88Å; W111-F197 HydrophobicContact CZ3-CE1 4.4Å; L115-F197 HydrophobicContact CD1-CE1 3.82Å; L115-F197 HydrophobicContact CD1-CZ 3.9Å; I193-F197 HydrophobicContact CG2-CD2 3.91Å; I193-F197 HydrophobicContact CG2-CE2 3.56Å; I193-F197 HydrophobicContact CG2-CZ 4.43Å; I193-F197 PolarHBondContact O-N 3.09Å; I193-F197 VanDerWaalsContact O-N 3.08Å; A194-F197 PolarHBondContact O-N 3.39Å; F197-L199 PolarHBondContact O-N 2.84Å; F197-L199 VanDerWaalsContact O-N 3.13Å; F197-Y200 PolarHBondContact O-N 3.49Å; F197-L201 HydrophobicContact CB-CD1 4.25Å; F197-L201 HydrophobicContact CD1-CD1 4.12Å; F197-L201 HydrophobicContact CG-CD1 4.47Å; F197-L201 WeakPolarHBondContact O-CB 2.98Å; F197-L201 PolarHBondContact O-N 2.67Å; F197-A206 HydrophobicContact CB-CB 3.88Å; F197-A209 HydrophobicContact CD1-CB 3.97Å; F197-A209 HydrophobicContact CD2-CB 3.87Å; F197-A209 HydrophobicContact CE1-CB 4.1Å; F197-A209 HydrophobicContact CE2-CB 3.98Å; F197-A209 HydrophobicContact CG-CB 3.88Å; F197-A209 HydrophobicContact CZ-CB 4.1Å; F197-L213 HydrophobicContact CE2-CB 4.49Å; F197-L213 HydrophobicContact CE2-CD2 4.04Å; F197-L213 HydrophobicContact CZ-CB 4.5Å; F197-L213 HydrophobicContact CZ-CD2 4.07Å; F197-W286 HydrophobicContact CZ-CZ3 4.39Å
198L94.3Very high91.8Very high2 Ų219.5 Ų19.51%0.019%0.094CC..Hα-helixtrans-65.1-15.4-179-162.264.4000114.2F159 K166 E169 L170 I173 A194 A195 L196 Y200 A206F159-L198 HydrophobicContact CE1-CD2 4.2Å; F159-L198 HydrophobicContact CZ-CB 4.34Å; F159-L198 HydrophobicContact CZ-CD2 4.02Å; K166-L198 HydrophobicContact CB-CD2 4.46Å; K166-L198 HydrophobicContact CD-CD2 4.15Å; K166-L198 HydrophobicContact CD-CG 4.11Å; K166-L198 WeakPolarHBondContact O-CD2 3.43Å; E169-L198 HydrophobicContact CB-CD1 4.13Å; E169-L198 HydrophobicContact CB-CD2 3.68Å; E169-L198 HydrophobicContact CB-CG 4.45Å; E169-L198 VanDerWaalsContact OE2-CD1 3.3Å; E169-L198 WeakPolarHBondContact OE2-CD1 3.42Å; L170-L198 HydrophobicContact CB-CD2 4.1Å; I173-L198 HydrophobicContact CD1-CD1 3.81Å; I173-L198 HydrophobicContact CD1-CD2 4.45Å; A194-L198 VanDerWaalsContact O-CB 3.31Å; A194-L198 WeakPolarHBondContact O-CB 3.32Å; A194-L198 PolarHBondContact O-N 2.52Å; A195-L198 PolarHBondContact O-N 2.77Å; L196-L198 VanDerWaalsContact C-N 3.32Å; L198-Y200 VanDerWaalsContact C-N 3.28Å; L198-A206 HydrophobicContact CD1-CB 4.09Å
199L91.6Very high92.4Very high20 Ų2015 Ų1511%0.1058%0.077CC..THydrogen-bonded Turntrans-67.5-27.9169.6-65.3-177000112.8L153 H156 F158 F159 A195 L196 F197 L279L153-L199 HydrophobicContact CD1-CD1 4.26Å; H156-L199 VanDerWaalsContact CE1-CD2 3.41Å; H156-L199 WeakPolarHBondContact CE1-CD2 3.45Å; F158-L199 HydrophobicContact CD2-CD2 3.89Å; F159-L199 HydrophobicContact CD2-CD2 4.29Å; F159-L199 HydrophobicContact CE2-CD2 3.67Å; F159-L199 HydrophobicContact CE2-CG 4.39Å; A195-L199 WeakPolarHBondContact O-CG 3.36Å; A195-L199 PolarHBondContact O-N 3.15Å; L196-L199 HydrophobicContact CD1-CD1 4.3Å; L196-L199 WeakPolarHBondContact O-CB 3.46Å; L196-L199 PolarHBondContact O-N 3.03Å; F197-L199 PolarHBondContact O-N 2.84Å; F197-L199 VanDerWaalsContact O-N 3.13Å; L199-L279 HydrophobicContact CD1-CD1 4.33Å; L199-L279 HydrophobicContact CD1-CD2 4.25Å
200Y92.9Very high92.9Very high44 Ų4414.3 Ų14.317%0.1737%0.073CC..THydrogen-bonded Turntrans-126.8-11.7-170.6-62.9-73.4000114.5M104 R107 G108 W111 F197 L198 L283M104-Y200 HydrophobicContact CG-CE1 3.6Å; R107-Y200 HydrophobicContact CB-CD1 3.91Å; R107-Y200 HydrophobicContact CB-CE1 4.43Å; R107-Y200 HydrophobicContact CB-CG 4.01Å; G108-Y200 VanDerWaalsContact CA-O 3.29Å; G108-Y200 WeakPolarHBondContact CA-O 2.93Å; W111-Y200 HydrophobicContact CE3-CD2 4.49Å; W111-Y200 AromaticContact CH2-CD2 3.68Å; W111-Y200 HydrophobicContact CH2-CD2 3.68Å; W111-Y200 HydrophobicContact CH2-CE2 4.19Å; W111-Y200 HydrophobicContact CH2-CG 4.49Å; W111-Y200 AromaticContact CZ3-CD2 3.62Å; W111-Y200 HydrophobicContact CZ3-CD2 3.62Å; W111-Y200 HydrophobicContact CZ3-CG 4.22Å; F197-Y200 PolarHBondContact O-N 3.49Å; L198-Y200 VanDerWaalsContact C-N 3.28Å; Y200-L283 HydrophobicContact CD2-CD2 4.22Å; Y200-L283 HydrophobicContact CE2-CD1 4.14Å; Y200-L283 HydrophobicContact CE2-CD2 3.37Å; Y200-L283 HydrophobicContact CE2-CG 4.39Å; Y200-L283 WeakPolarHBondContact OH-CD1 3.46Å
201L94.3Very high93.1Very high7 Ų714 Ų144%0.0377%0.072CC..SBendtrans-125.4148.5-177.5-62.8173.9000110.1G108 S112 I117 F197 D205 A206 A209G108-L201 WeakPolarHBondContact O-CD2 3.19Å; S112-L201 VanDerWaalsContact OG-CD2 3.29Å; S112-L201 WeakPolarHBondContact OG-CD2 3.4Å; I117-L201 HydrophobicContact CD1-CD1 3.79Å; I117-L201 HydrophobicContact CD1-CD2 4.44Å; F197-L201 HydrophobicContact CB-CD1 4.25Å; F197-L201 HydrophobicContact CD1-CD1 4.12Å; F197-L201 HydrophobicContact CG-CD1 4.47Å; F197-L201 WeakPolarHBondContact O-CB 2.98Å; F197-L201 PolarHBondContact O-N 2.67Å; L201-D205 HydrophobicContact CB-CB 4.12Å; L201-D205 HydrophobicContact CD2-CB 4.47Å; L201-A206 HydrophobicContact CB-CB 4.17Å; L201-A209 HydrophobicContact CD1-CB 3.81Å
202P94.9Very high93.2Very high74 Ų7415.6 Ų15.648%0.4818%0.079SC..  trans-66.2163.3169.629.4-34.8000111.4E204 D205 A206P202-E204 PolarHBondContact O-N 3Å; P202-D205 HydrophobicContact CG-CB 3.75Å; P202-D205 WeakPolarHBondContact CG-OD2 3.38Å; P202-D205 PolarHBondContact O-N 3.28Å; P202-D205 VanDerWaalsContact O-N 3.09Å; P202-A206 WeakPolarHBondContact O-CB 3.44Å; P202-A206 PolarHBondContact O-N 3.09Å
203E96.1Very high93.2Very high33 Ų3314.1 Ų14.115%0.1547%0.072CC..Hα-helixtrans-46.6-54.9-173-170.3-170.4115.200113.1Y128 K132 E169 H172 I173 A206 F207Y128-E203 HydrophobicContact CE1-CG 4.3Å; Y128-E203 VanDerWaalsContact CE1-OE1 3.23Å; Y128-E203 WeakPolarHBondContact CE1-OE1 2.95Å; Y128-E203 VanDerWaalsContact CZ-OE1 3.27Å; Y128-E203 VanDerWaalsContact OH-CG 3.27Å; Y128-E203 WeakPolarHBondContact OH-CG 3.47Å; Y128-E203 PolarHBondContact OH-OE1 3.48Å; K132-E203 IonicContact NZ-OE1 3.73Å; K132-E203 PolarHBondContact NZ-OE1 2.85Å; K132-E203 IonicContact NZ-OE2 2.72Å; E169-E203 HydrophobicContact CB-CB 4.39Å; E169-E203 HydrophobicContact CB-CG 4Å; E169-E203 HydrophobicContact CG-CB 4.18Å; E169-E203 HydrophobicContact CG-CG 4.13Å; E169-E203 WeakPolarHBondContact CG-OE2 3.4Å; H172-E203 IonicContact CG-OE1 3.94Å; H172-E203 IonicContact ND1-OE1 2.65Å; H172-E203 IonicContact ND1-OE2 3.64Å; H172-E203 PolarHBondContact ND1-OE2 3.01Å; I173-E203 HydrophobicContact CD1-CG 4.18Å; I173-E203 WeakPolarHBondContact CD1-O 3.38Å; I173-E203 HydrophobicContact CG1-CG 4Å; E203-A206 PolarHBondContact O-N 3.24Å; E203-F207 PolarHBondContact O-N 3.25Å; E203-F207 VanDerWaalsContact O-N 3.09Å
204E96.6Very high93Very high58 Ų5814.1 Ų14.127%0.2717%0.072SC..Hα-helixtrans-66.9-39.1-178.2-172.9-171.1-176.700112.8K121 Y128 P202 A206 F207 W208K121-E204 WeakPolarHBondContact CE-OE1 3.2Å; K121-E204 WeakPolarHBondContact CE-OE2 3.04Å; K121-E204 IonicContact NZ-OE1 3.37Å; K121-E204 IonicContact NZ-OE2 3.39Å; K121-E204 PolarHBondContact NZ-OE2 2.81Å; Y128-E204 HydrophobicContact CD1-CB 3.92Å; Y128-E204 HydrophobicContact CD1-CG 3.79Å; Y128-E204 HydrophobicContact CE1-CB 4.28Å; Y128-E204 HydrophobicContact CG-CB 4.4Å; Y128-E204 HydrophobicContact CG-CG 3.88Å; P202-E204 PolarHBondContact O-N 3Å; E204-A206 VanDerWaalsContact C-N 3.34Å; E204-F207 WeakPolarHBondContact O-CB 3.33Å; E204-F207 PolarHBondContact O-N 2.96Å; E204-W208 PolarHBondContact O-N 3.33Å; E204-W208 VanDerWaalsContact O-N 3.09Å
205D96.1Very high92.4Very high15 Ų1516.8 Ų16.88%0.089%0.094CC..Hα-helixtrans-68.8-38.6179.5-694.2000110.2I117 K121 L201 P202 F207 W208 A209I117-D205 HydrophobicContact CD1-CB 4.36Å; I117-D205 HydrophobicContact CG2-CB 3.96Å; K121-D205 VanDerWaalsContact CD-OD1 3.25Å; K121-D205 WeakPolarHBondContact CD-OD1 3.47Å; K121-D205 IonicContact NZ-OD1 3.74Å; K121-D205 PolarHBondContact NZ-OD1 3.26Å; L201-D205 HydrophobicContact CB-CB 4.12Å; L201-D205 HydrophobicContact CD2-CB 4.47Å; P202-D205 HydrophobicContact CG-CB 3.75Å; P202-D205 WeakPolarHBondContact CG-OD2 3.38Å; P202-D205 PolarHBondContact O-N 3.28Å; P202-D205 VanDerWaalsContact O-N 3.09Å; D205-F207 VanDerWaalsContact C-N 3.3Å; D205-F207 PolarHBondContact O-N 3.15Å; D205-W208 PolarHBondContact O-N 3.43Å; D205-A209 WeakPolarHBondContact O-CB 3.39Å; D205-A209 PolarHBondContact O-N 3Å
206A96.1Very high91.3Very high0 Ų018 Ų180%010%0.103CC..Hα-helixtrans-62.2-37.2174.400000112I173 F197 L198 L201 P202 E203 E204 A209 L210I173-A206 HydrophobicContact CD1-CB 3.81Å; F197-A206 HydrophobicContact CB-CB 3.88Å; L198-A206 HydrophobicContact CD1-CB 4.09Å; L201-A206 HydrophobicContact CB-CB 4.17Å; P202-A206 WeakPolarHBondContact O-CB 3.44Å; P202-A206 PolarHBondContact O-N 3.09Å; E203-A206 PolarHBondContact O-N 3.24Å; E204-A206 VanDerWaalsContact C-N 3.34Å; A206-A209 WeakPolarHBondContact O-CB 3.48Å; A206-A209 PolarHBondContact O-N 3.16Å; A206-L210 PolarHBondContact O-N 2.98Å
207F95.9Very high90Very high0 Ų024.8 Ų24.80%014%0.135CC..Hα-helixtrans-60.5-51171.5168.4-95.6000111.9Y128 M131 I173 A176 Y180 E203 E204 D205 A209 L210 V211Y128-F207 HydrophobicContact CD2-CB 3.74Å; Y128-F207 AromaticContact CD2-CD1 3.47Å; Y128-F207 HydrophobicContact CD2-CD1 3.47Å; Y128-F207 VanDerWaalsContact CD2-CD1 3.47Å; Y128-F207 AromaticContact CD2-CD2 3.86Å; Y128-F207 HydrophobicContact CD2-CD2 3.86Å; Y128-F207 HydrophobicContact CD2-CE1 4.05Å; Y128-F207 HydrophobicContact CD2-CE2 4.38Å; Y128-F207 AromaticContact CD2-CG 3.38Å; Y128-F207 HydrophobicContact CD2-CG 3.38Å; Y128-F207 HydrophobicContact CD2-CZ 4.48Å; Y128-F207 HydrophobicContact CE2-CB 3.61Å; Y128-F207 HydrophobicContact CE2-CD1 4.18Å; Y128-F207 AromaticContact CE2-CD2 3.86Å; Y128-F207 HydrophobicContact CE2-CD2 3.86Å; Y128-F207 AromaticContact CE2-CG 3.6Å; Y128-F207 HydrophobicContact CE2-CG 3.6Å; Y128-F207 HydrophobicContact CG-CD1 4.27Å; Y128-F207 HydrophobicContact CG-CG 4.48Å; M131-F207 HydrophobicContact CE-CE1 3.55Å; M131-F207 HydrophobicContact CE-CE2 4.21Å; M131-F207 HydrophobicContact CE-CZ 3.25Å; M131-F207 HydrophobicContact SD-CZ 4.46Å; I173-F207 HydrophobicContact CG1-CB 4.26Å; I173-F207 HydrophobicContact CG2-CB 4.17Å; I173-F207 HydrophobicContact CG2-CD2 4.35Å; A176-F207 HydrophobicContact CB-CD2 3.95Å; A176-F207 HydrophobicContact CB-CE2 3.81Å; Y180-F207 HydrophobicContact CD2-CZ 4.17Å; Y180-F207 HydrophobicContact CG-CZ 4.19Å; E203-F207 PolarHBondContact O-N 3.25Å; E203-F207 VanDerWaalsContact O-N 3.09Å; E204-F207 WeakPolarHBondContact O-CB 3.33Å; E204-F207 PolarHBondContact O-N 2.96Å; D205-F207 VanDerWaalsContact C-N 3.3Å; D205-F207 PolarHBondContact O-N 3.15Å; F207-A209 VanDerWaalsContact C-N 3.31Å; F207-A209 PolarHBondContact O-N 3.16Å; F207-L210 WeakPolarHBondContact O-CB 3.48Å; F207-L210 PolarHBondContact O-N 3.25Å; F207-L210 VanDerWaalsContact O-N 3.16Å; F207-V211 HydrophobicContact CD1-CG2 4.41Å; F207-V211 HydrophobicContact CE1-CG2 3.86Å; F207-V211 HydrophobicContact CE2-CG2 3.97Å; F207-V211 HydrophobicContact CZ-CG2 3.59Å; F207-V211 WeakPolarHBondContact O-CG2 3.45Å; F207-V211 PolarHBondContact O-N 3.4Å
208W95.4Very high88.7Confident0 Ų032 Ų320%016%0.162CC..Hα-helixtrans-67.1-32.5179.4-72.8115.8000112.8I117 M120 K121 N124 R127 Y180 E204 D205 L210 V211 Q212I117-W208 HydrophobicContact CG2-CB 3.92Å; M120-W208 HydrophobicContact CB-CB 4.49Å; M120-W208 HydrophobicContact CB-CD2 4.01Å; M120-W208 HydrophobicContact CB-CE3 3.78Å; M120-W208 HydrophobicContact CB-CG 4.33Å; M120-W208 HydrophobicContact CB-CZ3 4.38Å; M120-W208 HydrophobicContact CE-CE3 3.93Å; M120-W208 HydrophobicContact CE-CZ3 3.72Å; M120-W208 HydrophobicContact CG-CE3 4.47Å; K121-W208 HydrophobicContact CG-CG 4.07Å; N124-W208 HydrophobicContact CB-CH2 3.37Å; N124-W208 HydrophobicContact CB-CZ2 3.47Å; N124-W208 VanDerWaalsContact CB-CZ2 3.47Å; N124-W208 HydrophobicContact CB-CZ3 4.44Å; R127-W208 HydrophobicContact CB-CZ2 4.45Å; Y180-W208 HydrophobicContact CE2-CZ3 4.19Å; E204-W208 PolarHBondContact O-N 3.33Å; E204-W208 VanDerWaalsContact O-N 3.09Å; D205-W208 PolarHBondContact O-N 3.43Å; W208-L210 VanDerWaalsContact C-N 3.34Å; W208-V211 HydrophobicContact CE3-CB 4.26Å; W208-V211 HydrophobicContact CE3-CG1 4.27Å; W208-V211 HydrophobicContact CE3-CG2 4.45Å; W208-V211 HydrophobicContact CZ3-CG1 4.34Å; W208-V211 PolarHBondContact O-N 3.13Å; W208-Q212 VanDerWaalsContact O-CB 3.3Å; W208-Q212 WeakPolarHBondContact O-CB 3.32Å; W208-Q212 VanDerWaalsContact O-CG 3.24Å; W208-Q212 WeakPolarHBondContact O-CG 3.33Å; W208-Q212 PolarHBondContact O-N 2.95Å
209A93.7Very high87.5Confident0 Ų032.2 Ų32.20%016%0.163CC..Hα-helixtrans-59.3-45.8170.800000111.2L115 I117 F197 L201 D205 A206 F207 Q212 L213L115-A209 HydrophobicContact CD1-CB 3.64Å; I117-A209 HydrophobicContact CD1-CB 3.76Å; I117-A209 HydrophobicContact CG1-CB 4.42Å; F197-A209 HydrophobicContact CD1-CB 3.97Å; F197-A209 HydrophobicContact CD2-CB 3.87Å; F197-A209 HydrophobicContact CE1-CB 4.1Å; F197-A209 HydrophobicContact CE2-CB 3.98Å; F197-A209 HydrophobicContact CG-CB 3.88Å; F197-A209 HydrophobicContact CZ-CB 4.1Å; L201-A209 HydrophobicContact CD1-CB 3.81Å; D205-A209 WeakPolarHBondContact O-CB 3.39Å; D205-A209 PolarHBondContact O-N 3Å; A206-A209 WeakPolarHBondContact O-CB 3.48Å; A206-A209 PolarHBondContact O-N 3.16Å; F207-A209 VanDerWaalsContact C-N 3.31Å; F207-A209 PolarHBondContact O-N 3.16Å; A209-Q212 PolarHBondContact O-N 2.59Å; A209-L213 VanDerWaalsContact O-CB 3.28Å; A209-L213 WeakPolarHBondContact O-CB 3.5Å; A209-L213 PolarHBondContact O-N 3.01Å
210L91.8Very high85.8Confident0 Ų031.9 Ų31.90%016%0.162CC..Hα-helixtrans-62.3-47.6176.7-17768.1000111.7I173 Y177 L190 I193 A194 A206 F207 W208 Q212 L213 L214I173-L210 HydrophobicContact CG2-CD2 4.19Å; Y177-L210 HydrophobicContact CD2-CD2 3.79Å; Y177-L210 HydrophobicContact CD2-CG 4.13Å; Y177-L210 HydrophobicContact CE2-CD2 4.4Å; Y177-L210 HydrophobicContact CE2-CG 4.33Å; Y177-L210 HydrophobicContact CG-CD2 4Å; L190-L210 HydrophobicContact CD2-CD1 4.19Å; I193-L210 HydrophobicContact CB-CD1 4Å; I193-L210 HydrophobicContact CD1-CD1 4.22Å; I193-L210 HydrophobicContact CG2-CD1 3.7Å; A194-L210 HydrophobicContact CB-CD2 4.32Å; A206-L210 PolarHBondContact O-N 2.98Å; F207-L210 WeakPolarHBondContact O-CB 3.48Å; F207-L210 PolarHBondContact O-N 3.25Å; F207-L210 VanDerWaalsContact O-N 3.16Å; W208-L210 VanDerWaalsContact C-N 3.34Å; L210-Q212 PolarHBondContact O-N 3.27Å; L210-L213 PolarHBondContact O-N 3.41Å; L210-L214 HydrophobicContact CD1-CD1 3.87Å; L210-L214 HydrophobicContact CG-CD1 4.01Å; L210-L214 WeakPolarHBondContact O-CG 3.36Å; L210-L214 PolarHBondContact O-N 3.28Å; L210-L214 VanDerWaalsContact O-N 3.16Å
211V91.6Very high83.7Confident1 Ų130.5 Ų30.51%0.00616%0.157CC..Hα-helixtrans-58-49.6177.1169.50000110.8M120 Y177 Y180 F207 W208 L213 L214 A215M120-V211 HydrophobicContact CE-CG1 4.44Å; Y177-V211 HydrophobicContact CD2-CG2 4.14Å; Y177-V211 HydrophobicContact CE2-CG2 4.34Å; Y180-V211 HydrophobicContact CD1-CG1 4.26Å; Y180-V211 HydrophobicContact CD1-CG2 3.99Å; Y180-V211 HydrophobicContact CE1-CB 4.43Å; Y180-V211 HydrophobicContact CE1-CG1 3.5Å; Y180-V211 VanDerWaalsContact CE1-CG1 3.5Å; Y180-V211 HydrophobicContact CE1-CG2 4.08Å; Y180-V211 HydrophobicContact CE2-CG1 4.32Å; Y180-V211 HydrophobicContact CG-CG2 4.29Å; F207-V211 HydrophobicContact CD1-CG2 4.41Å; F207-V211 HydrophobicContact CE1-CG2 3.86Å; F207-V211 HydrophobicContact CE2-CG2 3.97Å; F207-V211 HydrophobicContact CZ-CG2 3.59Å; F207-V211 WeakPolarHBondContact O-CG2 3.45Å; F207-V211 PolarHBondContact O-N 3.4Å; W208-V211 HydrophobicContact CE3-CB 4.26Å; W208-V211 HydrophobicContact CE3-CG1 4.27Å; W208-V211 HydrophobicContact CE3-CG2 4.45Å; W208-V211 HydrophobicContact CZ3-CG1 4.34Å; W208-V211 PolarHBondContact O-N 3.13Å; V211-L213 PolarHBondContact O-N 2.84Å; V211-L214 PolarHBondContact O-N 3.41Å; V211-A215 VanDerWaalsContact O-CB 3.22Å; V211-A215 WeakPolarHBondContact O-CB 3.42Å; V211-A215 PolarHBondContact O-N 3.47Å
212Q91Very high81.1Confident34 Ų3438.5 Ų38.516%0.15919%0.194CC..Hα-helixtrans-64.6-39.8-179.4-74.8-75.189.400112.1L115 M120 W208 A209 L210 L214 S216L115-Q212 HydrophobicContact CB-CB 4.27Å; L115-Q212 HydrophobicContact CD2-CB 4.38Å; L115-Q212 VanDerWaalsContact O-CG 3.23Å; L115-Q212 WeakPolarHBondContact O-CG 3.3Å; L115-Q212 PolarHBondContact O-NE2 2.81Å; M120-Q212 HydrophobicContact CG-CG 3.58Å; M120-Q212 PolarHBondContact SD-OE1 3.42Å; W208-Q212 VanDerWaalsContact O-CB 3.3Å; W208-Q212 WeakPolarHBondContact O-CB 3.32Å; W208-Q212 VanDerWaalsContact O-CG 3.24Å; W208-Q212 WeakPolarHBondContact O-CG 3.33Å; W208-Q212 PolarHBondContact O-N 2.95Å; A209-Q212 PolarHBondContact O-N 2.59Å; L210-Q212 PolarHBondContact O-N 3.27Å; Q212-L214 VanDerWaalsContact C-N 3.27Å; Q212-L214 PolarHBondContact O-N 3.01Å; Q212-S216 WeakPolarHBondContact O-CA 3.43Å; Q212-S216 WeakPolarHBondContact O-CB 3.46Å; Q212-S216 PolarHBondContact O-N 3.07Å
213L87.7Confident78.3Confident0 Ų036.1 Ų36.10%018%0.183CC..Hα-helixtrans-59.5-40.4177.4-170.374000112.1L115 I193 F197 A209 L210 V211 H219 W286 Y289 L290L115-L213 HydrophobicContact CD2-CD1 4.41Å; I193-L213 HydrophobicContact CG2-CD2 3.77Å; F197-L213 HydrophobicContact CE2-CB 4.49Å; F197-L213 HydrophobicContact CE2-CD2 4.04Å; F197-L213 HydrophobicContact CZ-CB 4.5Å; F197-L213 HydrophobicContact CZ-CD2 4.07Å; A209-L213 VanDerWaalsContact O-CB 3.28Å; A209-L213 WeakPolarHBondContact O-CB 3.5Å; A209-L213 PolarHBondContact O-N 3.01Å; L210-L213 PolarHBondContact O-N 3.41Å; V211-L213 PolarHBondContact O-N 2.84Å; L213-H219 HydrophobicContact CD1-CB 4.11Å; L213-W286 HydrophobicContact CD1-CZ3 4.11Å; L213-W286 HydrophobicContact CD2-CH2 3.73Å; L213-W286 HydrophobicContact CD2-CZ3 3.66Å; L213-Y289 HydrophobicContact CD1-CD1 4.48Å; L213-Y289 HydrophobicContact CD1-CE1 3.87Å; L213-L290 HydrophobicContact CD1-CD2 3.9Å
214L83.6Confident75.5Confident3 Ų337.1 Ų37.12%0.01619%0.187CC..Hα-helixtrans-86.1-31.3-174.7-63.6170.6000112.6Y177 L190 L210 V211 Q212 S220 F224 L266Y177-L214 HydrophobicContact CE1-CD1 4.29Å; Y177-L214 HydrophobicContact CE2-CD1 3.65Å; Y177-L214 VanDerWaalsContact CZ-CD1 3.44Å; Y177-L214 WeakPolarHBondContact OH-CD1 3.28Å; L190-L214 HydrophobicContact CD2-CD1 3.52Å; L210-L214 HydrophobicContact CD1-CD1 3.87Å; L210-L214 HydrophobicContact CG-CD1 4.01Å; L210-L214 WeakPolarHBondContact O-CG 3.36Å; L210-L214 PolarHBondContact O-N 3.28Å; L210-L214 VanDerWaalsContact O-N 3.16Å; V211-L214 PolarHBondContact O-N 3.41Å; Q212-L214 VanDerWaalsContact C-N 3.27Å; Q212-L214 PolarHBondContact O-N 3.01Å; L214-S220 VanDerWaalsContact O-CB 3.27Å; L214-S220 WeakPolarHBondContact O-CB 3.3Å; L214-S220 PolarHBondContact O-OG 3.06Å; L214-F224 HydrophobicContact CD2-CE1 4.41Å; L214-F224 HydrophobicContact CD2-CZ 4.3Å; L214-L266 HydrophobicContact CD2-CD2 4.01Å
215A80.1Confident72.7Confident56 Ų5639.2 Ų39.246%0.46320%0.197SC..Hα-helixtrans-90-26.8-179.200000114.3V211 E217V211-A215 VanDerWaalsContact O-CB 3.22Å; V211-A215 WeakPolarHBondContact O-CB 3.42Å; V211-A215 PolarHBondContact O-N 3.47Å; A215-E217 PolarHBondContact O-N 3.16Å
216S70.1Confident69.5Low26 Ų2641.4 Ų41.418%0.18221%0.213CC..  trans-67.4128.6-172.5170.70000112.2Q212 R218 H219 S220Q212-S216 WeakPolarHBondContact O-CA 3.43Å; Q212-S216 WeakPolarHBondContact O-CB 3.46Å; Q212-S216 PolarHBondContact O-N 3.07Å; S216-R218 PolarHBondContact O-N 3.14Å; S216-R218 VanDerWaalsContact O-N 3.08Å; S216-R218 WeakPolarHBondContact OG-CB 3.41Å; S216-R218 PolarHBondContact OG-N 3.5Å; S216-H219 PolarHBondContact O-N 2.92Å; S216-H219 VanDerWaalsContact O-N 3.09Å; S216-H219 PolarHBondContact OG-ND1 3.09Å; S216-S220 WeakPolarHBondContact O-CA 3.48Å; S216-S220 WeakPolarHBondContact O-CB 3.47Å; S216-S220 PolarHBondContact O-N 3.13Å
217E63.7Low66.6Low147 Ų14747.6 Ų47.669%0.68725%0.254SS*.THydrogen-bonded Turntrans-58.2-20.6169.3-65.8-175.3171.700112.9A215A215-E217 PolarHBondContact O-N 3.16Å
218R65.2Low63.6Low153 Ų15354 Ų5458%0.57729%0.288SS*.THydrogen-bonded Turntrans-77-27.2178.1-63.9-1741751771113.2S216 G293 E294S216-R218 PolarHBondContact O-N 3.14Å; S216-R218 VanDerWaalsContact O-N 3.08Å; S216-R218 WeakPolarHBondContact OG-CB 3.41Å; S216-R218 PolarHBondContact OG-N 3.5Å; R218-G293 CarbonylContact O-C 3.5Å; R218-G293 VanDerWaalsContact O-CA 3.23Å; R218-G293 WeakPolarHBondContact O-CA 3.42Å; R218-E294 PolarHBondContact O-N 3.47Å
219H68.6Low60.6Low6 Ų656.7 Ų56.73%0.02832%0.316CS..THydrogen-bonded Turntrans-123.2-17.5-170.5-55.998.8000112.7L213 S216 Y289 L290L213-H219 HydrophobicContact CD1-CB 4.11Å; S216-H219 PolarHBondContact O-N 2.92Å; S216-H219 VanDerWaalsContact O-N 3.09Å; S216-H219 PolarHBondContact OG-ND1 3.09Å; H219-Y289 PolarHBondContact O-OH 3.48Å; H219-L290 PolarHBondContact NE2-O 2.7Å
220S57.5Low57.6Low12 Ų1259.6 Ų59.68%0.08435%0.346CS..SBendtrans-93.9126.7179.4-158.90000110.3L214 S216L214-S220 VanDerWaalsContact O-CB 3.27Å; L214-S220 WeakPolarHBondContact O-CB 3.3Å; L214-S220 PolarHBondContact O-OG 3.06Å; S216-S220 WeakPolarHBondContact O-CA 3.48Å; S216-S220 WeakPolarHBondContact O-CB 3.47Å; S216-S220 PolarHBondContact O-N 3.13Å
221L47.4Very low55Low15 Ų1563.8 Ų63.88%0.07937%0.372CS..  trans-62.6137.7162.7-64.5161.6000107.4G223 F224 L235 P265 E294 L297L221-G223 PolarHBondContact O-N 3.18Å; L221-F224 PolarHBondContact O-N 2.78Å; L221-L235 HydrophobicContact CD1-CD2 3.89Å; L221-L235 HydrophobicContact CD2-CD2 3.57Å; L221-L235 HydrophobicContact CG-CD2 4.32Å; L221-P265 HydrophobicContact CD1-CB 3.85Å; L221-P265 HydrophobicContact CD1-CG 3.59Å; L221-E294 WeakPolarHBondContact CA-OE1 3.14Å; L221-E294 HydrophobicContact CD2-CG 3.7Å; L221-E294 WeakPolarHBondContact CD2-OE1 3.14Å; L221-E294 HydrophobicContact CG-CG 4.29Å; L221-L297 HydrophobicContact CD1-CD2 3.56Å; L221-L297 HydrophobicContact CD2-CD2 3.91Å; L221-L297 HydrophobicContact CG-CD2 3.79Å
222Q39.7Very low52.5Low175 Ų17566.2 Ų66.282%0.81839%0.387SS*.THydrogen-bonded Turntrans-55.812.6175.4-76.1-177.7-7.500115.8
223G36.4Very low49.9Very low24 Ų2469.3 Ų69.325%0.24740%0.401CS..THydrogen-bonded Turntrans-113.8-3.1-178.600000116.3L221 H225L221-G223 PolarHBondContact O-N 3.18Å; G223-H225 PolarHBondContact O-N 3.04Å
224F36.5Very low47.3Very low55 Ų5571.5 Ų71.524%0.24142%0.424CS..THydrogen-bonded Turntrans-70.8-16176.9-110.5-84000113.9L214 L221 S264 L266L214-F224 HydrophobicContact CD2-CE1 4.41Å; L214-F224 HydrophobicContact CD2-CZ 4.3Å; L221-F224 PolarHBondContact O-N 2.78Å; F224-S264 WeakPolarHBondContact CE2-OG 3.5Å; F224-L266 HydrophobicContact CE2-CB 3.92Å; F224-L266 HydrophobicContact CE2-CD2 3.78Å; F224-L266 HydrophobicContact CE2-CG 4.4Å; F224-L266 HydrophobicContact CZ-CD2 4.33Å
225H38Very low45.1Very low101 Ų10173.5 Ų73.547%0.46843%0.434SS..THydrogen-bonded Turntrans-129.422.3-166.9-62.3-57.5000114.9G223 P227G223-H225 PolarHBondContact O-N 3.04Å; H225-P227 WeakPolarHBondContact O-CD 3.35Å
226S29.5Very low43.1Very low61 Ų6174 Ų7443%0.42743%0.427SS..  trans-107.9110.4172.5-78.70000111.3N228S226-N228 PolarHBondContact O-N 2.95Å; S226-N228 VanDerWaalsContact O-N 3.16Å
227P36.1Very low41.6Very low130 Ų13076.4 Ų76.484%0.84444%0.438SS*.SBendtrans-59.3-17.2166-21.432.1000113.1H225H225-P227 WeakPolarHBondContact O-CD 3.35Å
228N31.5Very low40.5Very low134 Ų13474.8 Ų74.872%0.71743%0.43SS*.SBendtrans-99.6103.3172.8-74-3.4000109.3S226 G230S226-N228 PolarHBondContact O-N 2.95Å; S226-N228 VanDerWaalsContact O-N 3.16Å; N228-G230 PolarHBondContact O-N 3.47Å
229G33.3Very low39.2Very low57 Ų5769.8 Ų69.859%0.58841%0.413SS*.THydrogen-bonded Turntrans-60.826-17700000117.8
230G30.8Very low37.8Very low62 Ų6274.9 Ų74.964%0.63944%0.437SS*.THydrogen-bonded Turntrans-72.9-31.6-176.300000115N228N228-G230 PolarHBondContact O-N 3.47Å
231T36.2Very low37Very low87 Ų8780.8 Ų80.853%0.53446%0.463SS..THydrogen-bonded Turntrans-96.8-20.6-173.1-35.50000113.3Q233T231-Q233 PolarHBondContact O-N 3.18Å
232V40.1Very low36.8Very low53 Ų5382.8 Ų82.832%0.32148%0.476SS..Hα-helixtrans-69.3-28.8175.5-178.80000110.8G234 L235 Q236V232-G234 PolarHBondContact O-N 3.15Å; V232-L235 PolarHBondContact O-N 3.46Å; V232-Q236 VanDerWaalsContact O-CB 3.3Å; V232-Q236 WeakPolarHBondContact O-CB 3.49Å; V232-Q236 PolarHBondContact O-N 3.1Å
233Q35Very low36.8Very low98 Ų9875.7 Ų75.746%0.45845%0.445SS..Hα-helixtrans-58.7-45.4177.3-157.364.252.900111.9T231 L235 Q236 D237T231-Q233 PolarHBondContact O-N 3.18Å; Q233-L235 VanDerWaalsContact C-N 3.31Å; Q233-L235 PolarHBondContact O-N 2.9Å; Q233-Q236 PolarHBondContact O-N 3.14Å; Q233-D237 PolarHBondContact NE2-OD1 3.37Å; Q233-D237 VanDerWaalsContact O-CB 3.22Å; Q233-D237 WeakPolarHBondContact O-CB 3.49Å; Q233-D237 PolarHBondContact O-N 2.96Å
234G33.8Very low36.7Very low47 Ų4777.2 Ų77.249%0.48546%0.455SS..Hα-helixtrans-64.8-31-176.700000114.7V232 Q238V232-G234 PolarHBondContact O-N 3.15Å; G234-Q238 WeakPolarHBondContact O-CB 3.39Å; G234-Q238 PolarHBondContact O-N 2.63Å; G234-Q238 VanDerWaalsContact O-N 3.12Å
235L37.9Very low36.9Very low45 Ų4579.6 Ų79.624%0.23647%0.474CS..Hα-helixtrans-87.8-31.8179.7-151.266.3000111.7L221 V232 Q233 Q238 Q239 P265L221-L235 HydrophobicContact CD1-CD2 3.89Å; L221-L235 HydrophobicContact CD2-CD2 3.57Å; L221-L235 HydrophobicContact CG-CD2 4.32Å; V232-L235 PolarHBondContact O-N 3.46Å; Q233-L235 VanDerWaalsContact C-N 3.31Å; Q233-L235 PolarHBondContact O-N 2.9Å; L235-Q238 PolarHBondContact O-N 2.98Å; L235-Q239 WeakPolarHBondContact O-CB 3.49Å; L235-Q239 PolarHBondContact O-N 2.99Å; L235-P265 HydrophobicContact CD2-CG 3.53Å; L235-P265 HydrophobicContact CG-CG 4.12Å
236Q38.9Very low36.8Very low67 Ų6777.3 Ų77.331%0.31347%0.469SS..Hα-helixtrans-66.9-42.5169.3-170.9163.5-200111V232 Q233 Q238 Q239 E240V232-Q236 VanDerWaalsContact O-CB 3.3Å; V232-Q236 WeakPolarHBondContact O-CB 3.49Å; V232-Q236 PolarHBondContact O-N 3.1Å; Q233-Q236 PolarHBondContact O-N 3.14Å; Q236-Q238 VanDerWaalsContact C-N 3.31Å; Q236-Q238 PolarHBondContact O-N 3.15Å; Q236-Q239 WeakPolarHBondContact O-CB 3.36Å; Q236-Q239 PolarHBondContact O-N 3.31Å; Q236-Q239 VanDerWaalsContact O-N 3.15Å; Q236-E240 WeakPolarHBondContact O-CB 3.47Å; Q236-E240 WeakPolarHBondContact O-CG 3.23Å; Q236-E240 PolarHBondContact O-N 3.13Å
237D36.8Very low37.1Very low76 Ų7677.8 Ų77.841%0.40647%0.465SS..Hα-helixtrans-61.5-40.6172.5-64.3-14.9000110.1Q233 H241Q233-D237 PolarHBondContact NE2-OD1 3.37Å; Q233-D237 VanDerWaalsContact O-CB 3.22Å; Q233-D237 WeakPolarHBondContact O-CB 3.49Å; Q233-D237 PolarHBondContact O-N 2.96Å; D237-H241 WeakPolarHBondContact O-CB 3.33Å; D237-H241 PolarHBondContact O-N 3.39Å
238Q40.5Very low36.9Very low113 Ų11376.9 Ų76.953%0.52846%0.459SS..Hα-helixtrans-67.2-37.6174.9-129.4-169.52.300112.6G234 L235 Q236 V242G234-Q238 WeakPolarHBondContact O-CB 3.39Å; G234-Q238 PolarHBondContact O-N 2.63Å; G234-Q238 VanDerWaalsContact O-N 3.12Å; L235-Q238 PolarHBondContact O-N 2.98Å; Q236-Q238 VanDerWaalsContact C-N 3.31Å; Q236-Q238 PolarHBondContact O-N 3.15Å; Q238-V242 WeakPolarHBondContact O-CB 3.46Å; Q238-V242 WeakPolarHBondContact O-CG2 3.41Å; Q238-V242 PolarHBondContact O-N 2.9Å
239Q38.1Very low37Very low47 Ų4780.3 Ų80.322%0.2247%0.467CS..Hα-helixtrans-67.4-48.1176.6-171.595.9-29.400110.5L235 Q236 V242 V243L235-Q239 WeakPolarHBondContact O-CB 3.49Å; L235-Q239 PolarHBondContact O-N 2.99Å; Q236-Q239 WeakPolarHBondContact O-CB 3.36Å; Q236-Q239 PolarHBondContact O-N 3.31Å; Q236-Q239 VanDerWaalsContact O-N 3.15Å; Q239-V242 PolarHBondContact O-N 3.25Å; Q239-V243 VanDerWaalsContact O-CB 3.23Å; Q239-V243 WeakPolarHBondContact O-CB 3.25Å; Q239-V243 WeakPolarHBondContact O-CG2 3.27Å; Q239-V243 PolarHBondContact O-N 2.93Å
240E39.3Very low37.3Very low114 Ų11481.3 Ų81.353%0.53346%0.462SS..Hα-helixtrans-63.4-41.6176.6-73-176.4-172.200110.9Q236 V243 A244Q236-E240 WeakPolarHBondContact O-CB 3.47Å; Q236-E240 WeakPolarHBondContact O-CG 3.23Å; Q236-E240 PolarHBondContact O-N 3.13Å; E240-V243 PolarHBondContact O-N 2.79Å; E240-A244 WeakPolarHBondContact O-CB 3.29Å; E240-A244 PolarHBondContact O-N 3.09Å
241H42.3Very low37.4Very low135 Ų13584.6 Ų84.663%0.62546%0.463SS*.Hα-helixtrans-70.3-38.5177.1-150-68.9000111.7D237 T245D237-H241 WeakPolarHBondContact O-CB 3.33Å; D237-H241 PolarHBondContact O-N 3.39Å; H241-T245 PolarHBondContact ND1-OG1 2.92Å; H241-T245 WeakPolarHBondContact O-CB 3.45Å; H241-T245 PolarHBondContact O-N 3.26Å; H241-T245 PolarHBondContact O-OG1 3.23Å
242V41.7Very low37Very low57 Ų5783.9 Ų83.935%0.34547%0.472SS..Hα-helixtrans-70.6-35.5176.3169.90000111.5Q238 Q239 S246Q238-V242 WeakPolarHBondContact O-CB 3.46Å; Q238-V242 WeakPolarHBondContact O-CG2 3.41Å; Q238-V242 PolarHBondContact O-N 2.9Å; Q239-V242 PolarHBondContact O-N 3.25Å; V242-S246 WeakPolarHBondContact O-CB 3.25Å; V242-S246 PolarHBondContact O-N 3.36Å; V242-S246 PolarHBondContact O-OG 3.3Å
243V39.8Very low36.9Very low27 Ų2790.4 Ų90.416%0.16450%0.499CS..Hα-helixtrans-73.2-43.7176174.90000110.6Q239 E240 S246 Q247 M251Q239-V243 VanDerWaalsContact O-CB 3.23Å; Q239-V243 WeakPolarHBondContact O-CB 3.25Å; Q239-V243 WeakPolarHBondContact O-CG2 3.27Å; Q239-V243 PolarHBondContact O-N 2.93Å; E240-V243 PolarHBondContact O-N 2.79Å; V243-S246 PolarHBondContact O-N 2.91Å; V243-Q247 PolarHBondContact O-N 3.23Å; V243-Q247 VanDerWaalsContact O-N 3.08Å; V243-M251 HydrophobicContact CG1-CE 3.34Å; V243-M251 HydrophobicContact CG1-SD 3.95Å
244A35.3Very low36.6Very low56 Ų5692.7 Ų92.746%0.46351%0.51SS..Hα-helixtrans-65-41.5175.100000112.5E240 S246E240-A244 WeakPolarHBondContact O-CB 3.29Å; E240-A244 PolarHBondContact O-N 3.09Å; A244-S246 VanDerWaalsContact C-N 3.28Å; A244-S246 PolarHBondContact O-N 3.47Å
245T39.8Very low36.3Very low105 Ų10596.1 Ų96.164%0.64452%0.517SS*.Hα-helixtrans-71.5-23.6-180-50.90000112.1H241H241-T245 PolarHBondContact ND1-OG1 2.92Å; H241-T245 WeakPolarHBondContact O-CB 3.45Å; H241-T245 PolarHBondContact O-N 3.26Å; H241-T245 PolarHBondContact O-OG1 3.23Å
246S36.8Very low36Very low53 Ų53103.9 Ų103.937%0.37155%0.548SS..Hα-helixtrans-99.8-14.9-178.163.80000115.2V242 V243 A244V242-S246 WeakPolarHBondContact O-CB 3.25Å; V242-S246 PolarHBondContact O-N 3.36Å; V242-S246 PolarHBondContact O-OG 3.3Å; V243-S246 PolarHBondContact O-N 2.91Å; A244-S246 VanDerWaalsContact C-N 3.28Å; A244-S246 PolarHBondContact O-N 3.47Å
247Q35.3Very low35.5Very low71 Ų71109.7 Ų109.733%0.33257%0.573SS.*  trans-158.977.6-175.4-64.4-74.3-66.400113.7V243 K249 T250V243-Q247 PolarHBondContact O-N 3.23Å; V243-Q247 VanDerWaalsContact O-N 3.08Å; Q247-K249 VanDerWaalsContact C-N 3.33Å; Q247-K249 PolarHBondContact O-N 3.13Å; Q247-T250 PolarHBondContact OE1-OG1 2.73Å
248P31.7Very low35.2Very low110 Ų110112.4 Ų112.471%0.71459%0.587SS**THydrogen-bonded Turntrans-70.8-25.3177.2-17.330.6000114
249K34.7Very low34.7Very low206 Ų206114 Ų11490%0.89660%0.599SS**THydrogen-bonded Turntrans-96.1-3.9-163.8-71.9-177.2175.5179.50115.7Q247Q247-K249 VanDerWaalsContact C-N 3.33Å; Q247-K249 PolarHBondContact O-N 3.13Å
250T39.5Very low34.4Very low78 Ų78115.6 Ų115.648%0.47961%0.614SS.*SBendtrans-113-5.1-170.4-26.80000113.5Q247Q247-T250 PolarHBondContact OE1-OG1 2.73Å
251M32.4Very low34Very low132 Ų132113 Ų11365%0.6562%0.618SS**  trans-94.9-4.1-171.8-130.4168.2-164.500114.3V243 H253V243-M251 HydrophobicContact CG1-CE 3.34Å; V243-M251 HydrophobicContact CG1-SD 3.95Å; M251-H253 VanDerWaalsContact C-N 3.3Å; M251-H253 PolarHBondContact O-N 2.95Å
252G28.2Very low33.8Very low71 Ų71115 Ų11573%0.73263%0.627SS**SBendtrans-74.5-3-170.400000117
253H36.2Very low33.7Very low191 Ų191114.3 Ų114.388%0.88463%0.625SS**SBendtrans-148.711.3-169.2-111.3-11000117.8M251M251-H253 VanDerWaalsContact C-N 3.3Å; M251-H253 PolarHBondContact O-N 2.95Å
254Q29.2Very low34.3Very low146 Ų146114.1 Ų114.168%0.68263%0.625SS**SBendtrans-108108.5172.9-111.7164.9-5.100110K256Q254-K256 PolarHBondContact O-N 3.36Å
255D28.5Very low35.1Very low118 Ų118112.2 Ų112.263%0.63161%0.608SS**  trans-3.5104.8174.9-64-55.6000117K257D255-K257 PolarHBondContact O-N 2.9Å
256K30.9Very low36Very low208 Ų208107.3 Ų107.390%0.90458%0.578SS**THydrogen-bonded Turntrans-577.9160.7-94-179.9173178.20114.2Q254Q254-K256 PolarHBondContact O-N 3.36Å
257K29.2Very low37Very low189 Ų189105 Ų10582%0.82256%0.561SS**THydrogen-bonded Turntrans-106.6-8.9-169.4-77.1-174.3174.6-178.60116.1D255D255-K257 PolarHBondContact O-N 2.9Å
258D29.5Very low38Very low133 Ų133103.3 Ų103.371%0.71156%0.557SS**SBendtrans-119.43.9179-73.7-37.6000115.5C260D258-C260 PolarHBondContact O-N 3.43Å; D258-C260 VanDerWaalsContact O-N 3.16Å
259L31.3Very low39.3Very low147 Ų14798.1 Ų98.177%0.7752%0.523SS*.  trans-8584169.6-76.4115000109.6G261L259-G261 PolarHBondContact O-N 2.91Å
260C30.4Very low40.5Very low81 Ų8188.4 Ų88.455%0.54748%0.481SS..  trans-55112.7161.5-176.10000108.2D258 Q262 C263D258-C260 PolarHBondContact O-N 3.43Å; D258-C260 VanDerWaalsContact O-N 3.16Å; C260-Q262 PolarHBondContact O-N 3.17Å; C260-C263 PolarHBondContact O-N 3.48Å
261G31.4Very low41.5Very low59 Ų5988.4 Ų88.461%0.60847%0.473SS*.THydrogen-bonded Turntrans-67.432.2-177.700000115.2L259L259-G261 PolarHBondContact O-N 2.91Å
262Q37.4Very low42.7Very low176 Ų17683 Ų8382%0.82245%0.446SS*.THydrogen-bonded Turntrans-1338.6179.3-62.8-167.258.600113.3C260 S264C260-Q262 PolarHBondContact O-N 3.17Å; Q262-S264 PolarHBondContact O-N 3.44Å; Q262-S264 VanDerWaalsContact O-N 3.07Å
263C39.4Very low44.3Very low43 Ų4379.7 Ų79.729%0.29141%0.412SS..  trans-72.4105.3176.5-86.60000111C260C260-C263 PolarHBondContact O-N 3.48Å
264S52.7Low45.4Very low24 Ų2472.1 Ų72.117%0.16838%0.377CS..  trans-46.3146.2162.1169.80000110.6F224 Q262 L266 G267 C268F224-S264 WeakPolarHBondContact CE2-OG 3.5Å; Q262-S264 PolarHBondContact O-N 3.44Å; Q262-S264 VanDerWaalsContact O-N 3.07Å; S264-L266 PolarHBondContact O-N 2.87Å; S264-L266 VanDerWaalsContact O-N 3.08Å; S264-L266 PolarHBondContact OG-N 3.11Å; S264-G267 CarbonylContact O-C 3.55Å; S264-G267 VanDerWaalsContact O-CA 3.32Å; S264-G267 WeakPolarHBondContact O-CA 3.13Å; S264-G267 PolarHBondContact O-N 2.84Å; S264-C268 PolarHBondContact O-N 3.26Å
265P52.1Low47Very low16 Ų1670.7 Ų70.710%0.10437%0.374CS..Hα-helixtrans-55.7-27.3175.9-19.625.6000113L221 L235 C268 L269 L297 M298L221-P265 HydrophobicContact CD1-CB 3.85Å; L221-P265 HydrophobicContact CD1-CG 3.59Å; L235-P265 HydrophobicContact CD2-CG 3.53Å; L235-P265 HydrophobicContact CG-CG 4.12Å; P265-C268 PolarHBondContact O-N 2.95Å; P265-L269 VanDerWaalsContact O-CB 3.3Å; P265-L269 WeakPolarHBondContact O-CB 3.24Å; P265-L269 PolarHBondContact O-N 3.26Å; P265-L297 HydrophobicContact CB-CD2 4.19Å; P265-M298 HydrophobicContact CB-SD 4.49Å
266L58.6Low48.5Very low2 Ų265.4 Ų65.41%0.0135%0.348CS..Hα-helixtrans-65.8-46.4170-173.862.1000111L214 F224 S264 C268 L269 I270 Y289 L297L214-L266 HydrophobicContact CD2-CD2 4.01Å; F224-L266 HydrophobicContact CE2-CB 3.92Å; F224-L266 HydrophobicContact CE2-CD2 3.78Å; F224-L266 HydrophobicContact CE2-CG 4.4Å; F224-L266 HydrophobicContact CZ-CD2 4.33Å; S264-L266 PolarHBondContact O-N 2.87Å; S264-L266 VanDerWaalsContact O-N 3.08Å; S264-L266 PolarHBondContact OG-N 3.11Å; L266-C268 VanDerWaalsContact C-N 3.31Å; L266-C268 PolarHBondContact O-N 2.87Å; L266-L269 HydrophobicContact CD1-CD2 4.23Å; L266-L269 CarbonylContact O-C 3.58Å; L266-L269 WeakPolarHBondContact O-CB 3.37Å; L266-L269 PolarHBondContact O-N 3.09Å; L266-L269 VanDerWaalsContact O-N 3.12Å; L266-I270 HydrophobicContact CD1-CD1 4.27Å; L266-I270 HydrophobicContact CD1-CG1 4.49Å; L266-I270 HydrophobicContact CD2-CD1 4.48Å; L266-I270 HydrophobicContact CG-CD1 3.74Å; L266-I270 HydrophobicContact CG-CG1 4.43Å; L266-I270 WeakPolarHBondContact O-CB 3.46Å; L266-I270 VanDerWaalsContact O-CD1 3.23Å; L266-I270 WeakPolarHBondContact O-CD1 3.38Å; L266-I270 WeakPolarHBondContact O-CG1 3.25Å; L266-I270 PolarHBondContact O-N 3Å; L266-Y289 HydrophobicContact CD1-CE1 4.14Å; L266-L297 HydrophobicContact CD1-CD1 3.68Å
267G59.5Low50.2Low3 Ų356.2 Ų56.23%0.03131%0.309CS..Hα-helixtrans-59.3-40.4173.500000112.5D189 S264 I270 R271D189-G267 VanDerWaalsContact OD2-CA 3.26Å; D189-G267 WeakPolarHBondContact OD2-CA 3.36Å; S264-G267 CarbonylContact O-C 3.55Å; S264-G267 VanDerWaalsContact O-CA 3.32Å; S264-G267 WeakPolarHBondContact O-CA 3.13Å; S264-G267 PolarHBondContact O-N 2.84Å; G267-I270 PolarHBondContact O-N 3.33Å; G267-R271 WeakPolarHBondContact O-CB 3.49Å; G267-R271 PolarHBondContact O-N 3.25Å
268C55Low52.6Low36 Ų3649.4 Ų49.424%0.24329%0.285CS..Hα-helixtrans-61.5-47.1170.7-69.40000112S264 P265 L266 I270 R271 I272S264-C268 PolarHBondContact O-N 3.26Å; P265-C268 PolarHBondContact O-N 2.95Å; L266-C268 VanDerWaalsContact C-N 3.31Å; L266-C268 PolarHBondContact O-N 2.87Å; C268-I270 PolarHBondContact O-N 2.88Å; C268-R271 PolarHBondContact O-N 3.26Å; C268-I272 WeakPolarHBondContact O-CB 3.27Å; C268-I272 WeakPolarHBondContact O-CD1 3.21Å; C268-I272 WeakPolarHBondContact O-CG1 3.46Å; C268-I272 PolarHBondContact O-N 2.79Å
269L59Low55.1Low1 Ų144.1 Ų44.11%0.00526%0.256CS..Hα-helixtrans-59.8-46.5177.7-179.7121.3000111P265 L266 I272 L273 L297 I300 T301P265-L269 VanDerWaalsContact O-CB 3.3Å; P265-L269 WeakPolarHBondContact O-CB 3.24Å; P265-L269 PolarHBondContact O-N 3.26Å; L266-L269 HydrophobicContact CD1-CD2 4.23Å; L266-L269 CarbonylContact O-C 3.58Å; L266-L269 WeakPolarHBondContact O-CB 3.37Å; L266-L269 PolarHBondContact O-N 3.09Å; L266-L269 VanDerWaalsContact O-N 3.12Å; L269-I272 PolarHBondContact O-N 2.72Å; L269-L273 HydrophobicContact CD2-CD1 3.46Å; L269-L273 VanDerWaalsContact CD2-CD1 3.46Å; L269-L273 HydrophobicContact CD2-CG 4.44Å; L269-L273 HydrophobicContact CG-CD1 3.72Å; L269-L273 HydrophobicContact CG-CG 4.2Å; L269-L273 WeakPolarHBondContact O-CB 3.37Å; L269-L273 WeakPolarHBondContact O-CG 3.22Å; L269-L273 PolarHBondContact O-N 2.63Å; L269-L297 HydrophobicContact CB-CD1 4.02Å; L269-L297 HydrophobicContact CD1-CD1 3.6Å; L269-L297 HydrophobicContact CD1-CG 4.21Å; L269-L297 WeakPolarHBondContact CD1-O 3.17Å; L269-L297 HydrophobicContact CD2-CD1 3.72Å; L269-L297 HydrophobicContact CG-CD1 3.97Å; L269-I300 HydrophobicContact CD1-CB 3.67Å; L269-I300 HydrophobicContact CD1-CG2 3.4Å; L269-I300 VanDerWaalsContact CD1-CG2 3.4Å; L269-I300 HydrophobicContact CG-CG2 4.3Å; L269-T301 WeakPolarHBondContact CD1-OG1 3.38Å
270I60.9Low57.7Low3 Ų337.3 Ų37.32%0.01522%0.222CC..Hα-helixtrans-59.2-51.9177.8-68.1157.5000110D189 H192 I193 L266 G267 C268 I272 L273 I274 W286D189-I270 HydrophobicContact CB-CG2 4.18Å; H192-I270 HydrophobicContact CB-CG2 4.5Å; I193-I270 HydrophobicContact CD1-CD1 3.2Å; I193-I270 HydrophobicContact CD1-CG1 4.14Å; I193-I270 HydrophobicContact CG1-CD1 3.46Å; I193-I270 VanDerWaalsContact CG1-CD1 3.46Å; I193-I270 HydrophobicContact CG1-CG1 3.85Å; I193-I270 HydrophobicContact CG1-CG2 3.87Å; L266-I270 HydrophobicContact CD1-CD1 4.27Å; L266-I270 HydrophobicContact CD1-CG1 4.49Å; L266-I270 HydrophobicContact CD2-CD1 4.48Å; L266-I270 HydrophobicContact CG-CD1 3.74Å; L266-I270 HydrophobicContact CG-CG1 4.43Å; L266-I270 WeakPolarHBondContact O-CB 3.46Å; L266-I270 VanDerWaalsContact O-CD1 3.23Å; L266-I270 WeakPolarHBondContact O-CD1 3.38Å; L266-I270 WeakPolarHBondContact O-CG1 3.25Å; L266-I270 PolarHBondContact O-N 3Å; G267-I270 PolarHBondContact O-N 3.33Å; C268-I270 PolarHBondContact O-N 2.88Å; I270-I272 PolarHBondContact O-N 2.75Å; I270-L273 PolarHBondContact O-N 2.91Å; I270-I274 HydrophobicContact CB-CD1 4.37Å; I270-I274 HydrophobicContact CG2-CD1 3.37Å; I270-I274 WeakPolarHBondContact O-CB 2.94Å; I270-I274 WeakPolarHBondContact O-CD1 3.34Å; I270-I274 WeakPolarHBondContact O-CG1 3.43Å; I270-I274 PolarHBondContact O-N 3.46Å; I270-W286 HydrophobicContact CG1-CZ2 4.21Å
271R60.3Low60.3Low78 Ų7833.8 Ų33.829%0.29420%0.197SC..Hα-helixtrans-56.9-48.4178.1-167.910370.994.29.6111.7D189 G267 C268 L273 I274 D275D189-R271 IonicContact OD1-NE 3.87Å; G267-R271 WeakPolarHBondContact O-CB 3.49Å; G267-R271 PolarHBondContact O-N 3.25Å; C268-R271 PolarHBondContact O-N 3.26Å; R271-L273 VanDerWaalsContact C-N 3.35Å; R271-L273 PolarHBondContact O-N 3.37Å; R271-I274 PolarHBondContact O-N 2.93Å; R271-D275 PolarHBondContact O-N 3.15Å
272I57.4Low62.9Low18 Ų1831.1 Ų31.19%0.09217%0.17CC..Hα-helixtrans-66.3-39.7-178.2-63.4164.2000110.9C268 L269 I270 I274 G276 I277 T301 A304C268-I272 WeakPolarHBondContact O-CB 3.27Å; C268-I272 WeakPolarHBondContact O-CD1 3.21Å; C268-I272 WeakPolarHBondContact O-CG1 3.46Å; C268-I272 PolarHBondContact O-N 2.79Å; L269-I272 PolarHBondContact O-N 2.72Å; I270-I272 PolarHBondContact O-N 2.75Å; I272-I274 VanDerWaalsContact C-N 3.28Å; I272-I274 PolarHBondContact O-N 3.13Å; I272-G276 PolarHBondContact O-N 3.43Å; I272-I277 HydrophobicContact CG2-CD1 4.4Å; I272-T301 HydrophobicContact CD1-CG2 4.09Å; I272-A304 HydrophobicContact CB-CB 4.29Å; I272-A304 VanDerWaalsContact CG2-C 3.47Å; I272-A304 HydrophobicContact CG2-CB 3.35Å
273L61.1Low65.4Low1 Ų122.8 Ų22.81%0.00513%0.13CC..Hα-helixtrans-66.7-29178.5-76178.5000112.4L269 I270 R271 I277 T282 L285 I300 A304L269-L273 HydrophobicContact CD2-CD1 3.46Å; L269-L273 VanDerWaalsContact CD2-CD1 3.46Å; L269-L273 HydrophobicContact CD2-CG 4.44Å; L269-L273 HydrophobicContact CG-CD1 3.72Å; L269-L273 HydrophobicContact CG-CG 4.2Å; L269-L273 WeakPolarHBondContact O-CB 3.37Å; L269-L273 WeakPolarHBondContact O-CG 3.22Å; L269-L273 PolarHBondContact O-N 2.63Å; I270-L273 PolarHBondContact O-N 2.91Å; R271-L273 VanDerWaalsContact C-N 3.35Å; R271-L273 PolarHBondContact O-N 3.37Å; L273-I277 HydrophobicContact CD2-CD1 4.19Å; L273-T282 HydrophobicContact CB-CG2 3.95Å; L273-T282 PolarHBondContact O-OG1 3.21Å; L273-L285 HydrophobicContact CD2-CB 4Å; L273-L285 HydrophobicContact CD2-CD1 3.37Å; L273-L285 HydrophobicContact CD2-CG 4.31Å; L273-I300 HydrophobicContact CD2-CG2 4.33Å; L273-A304 HydrophobicContact CD2-CB 4.46Å
274I60.5Low67.8Low32 Ų3221 Ų2116%0.16412%0.118CC..Hα-helixtrans-97.9-41.4-171.7-71.9146.5000112.7H192 I270 R271 I272H192-I274 HydrophobicContact CB-CD1 3.28Å; H192-I274 HydrophobicContact CB-CG1 4.18Å; H192-I274 HydrophobicContact CB-CG2 4.21Å; H192-I274 VanDerWaalsContact CD2-CG2 3.43Å; H192-I274 WeakPolarHBondContact CD2-CG2 3.31Å; I270-I274 HydrophobicContact CB-CD1 4.37Å; I270-I274 HydrophobicContact CG2-CD1 3.37Å; I270-I274 WeakPolarHBondContact O-CB 2.94Å; I270-I274 WeakPolarHBondContact O-CD1 3.34Å; I270-I274 WeakPolarHBondContact O-CG1 3.43Å; I270-I274 PolarHBondContact O-N 3.46Å; R271-I274 PolarHBondContact O-N 2.93Å; I272-I274 VanDerWaalsContact C-N 3.28Å; I272-I274 PolarHBondContact O-N 3.13Å
275D61.6Low69.5Low116 Ų11620 Ų2062%0.6211%0.11SC*.Hα-helixtrans-89.7-23.7-176.9-68.1-26.6000113.1R271R271-D275 PolarHBondContact O-N 3.15Å
276G59.4Low71.3Confident8 Ų819.2 Ų19.28%0.08211%0.105CC..SBendtrans-105.3-16.3-167.900000115.9I272 R311I272-G276 PolarHBondContact O-N 3.43Å; G276-R311 WeakPolarHBondContact O-CD 3.43Å; G276-R311 PolarHBondContact O-NH1 3.33Å
277I68.2Low73Confident14 Ų1419.1 Ų19.17%0.07211%0.105CC..SBendtrans-131.6155.5-161.2-62.8177.3000110.8I272 L273 L281 A304 V307I272-I277 HydrophobicContact CG2-CD1 4.4Å; L273-I277 HydrophobicContact CD2-CD1 4.19Å; I277-L281 HydrophobicContact CG2-CB 3.62Å; I277-L281 HydrophobicContact CG2-CD2 3.59Å; I277-L281 HydrophobicContact CG2-CG 3.67Å; I277-A304 HydrophobicContact CD1-CB 3.59Å; I277-V307 HydrophobicContact CG1-CG1 4.17Å
278S79.4Confident74.5Confident46 Ų4619 Ų1932%0.32210%0.104SC..  trans-67.4143.3174.251.60000110.9G280 L281 T282S278-G280 PolarHBondContact O-N 2.91Å; S278-G280 VanDerWaalsContact O-N 3.13Å; S278-L281 PolarHBondContact O-N 3.07Å; S278-L281 VanDerWaalsContact O-N 3.08Å; S278-T282 PolarHBondContact O-N 2.93Å; S278-T282 PolarHBondContact O-OG1 3.13Å
279L82.2Confident76.2Confident22 Ų2217.4 Ų17.412%0.1159%0.092CC..Hα-helixtrans-52.4-38.5178-18059.7000112.1L49 I51 L196 L199 T282 L283L49-L279 HydrophobicContact CB-CD2 4.27Å; L49-L279 HydrophobicContact CD1-CB 4.37Å; I51-L279 HydrophobicContact CD1-CB 4.38Å; I51-L279 HydrophobicContact CD1-CD2 3.74Å; I51-L279 HydrophobicContact CG1-CD2 4.23Å; L196-L279 HydrophobicContact CD1-CD1 3.97Å; L199-L279 HydrophobicContact CD1-CD1 4.33Å; L199-L279 HydrophobicContact CD1-CD2 4.25Å; L279-T282 WeakPolarHBondContact O-CB 3.49Å; L279-T282 PolarHBondContact O-N 3.45Å; L279-L283 HydrophobicContact CD1-CD1 4.27Å; L279-L283 HydrophobicContact CD1-CG 4.14Å; L279-L283 HydrophobicContact CG-CD1 4Å; L279-L283 HydrophobicContact CG-CG 4.37Å; L279-L283 VanDerWaalsContact O-CG 3.23Å; L279-L283 WeakPolarHBondContact O-CG 3.11Å; L279-L283 PolarHBondContact O-N 2.73Å
280G84.8Confident77.7Confident4 Ų417.5 Ų17.54%0.0419%0.093CC..Hα-helixtrans-58-50.6176.800000113.3L49 S278 T282 L283 R284L49-G280 VanDerWaalsContact CD1-N 3.32Å; S278-G280 PolarHBondContact O-N 2.91Å; S278-G280 VanDerWaalsContact O-N 3.13Å; G280-T282 VanDerWaalsContact C-N 3.33Å; G280-T282 PolarHBondContact O-N 3.24Å; G280-L283 PolarHBondContact O-N 2.87Å; G280-R284 WeakPolarHBondContact O-CG 3.5Å; G280-R284 PolarHBondContact O-N 3.31Å; G280-R284 VanDerWaalsContact O-N 3.12Å
281L85.3Confident79.2Confident7 Ų718.6 Ų18.64%0.03710%0.1CC..Hα-helixtrans-66.5-38.2177.4177.957000111I277 S278 R284 L285 E336 V339 L340I277-L281 HydrophobicContact CG2-CB 3.62Å; I277-L281 HydrophobicContact CG2-CD2 3.59Å; I277-L281 HydrophobicContact CG2-CG 3.67Å; S278-L281 PolarHBondContact O-N 3.07Å; S278-L281 VanDerWaalsContact O-N 3.08Å; L281-R284 PolarHBondContact O-N 3.35Å; L281-L285 HydrophobicContact CD1-CD1 4.05Å; L281-L285 HydrophobicContact CD1-CD2 4.4Å; L281-L285 HydrophobicContact CD1-CG 3.97Å; L281-L285 HydrophobicContact CG-CD1 3.89Å; L281-L285 HydrophobicContact CG-CG 4.29Å; L281-L285 VanDerWaalsContact O-CG 3.28Å; L281-L285 WeakPolarHBondContact O-CG 3.41Å; L281-L285 PolarHBondContact O-N 3.46Å; L281-E336 HydrophobicContact CB-CG 4.23Å; L281-E336 HydrophobicContact CD1-CB 4.39Å; L281-E336 PolarHBondContact N-OE1 3.41Å; L281-E336 VanDerWaalsContact N-OE1 3.13Å; L281-V339 HydrophobicContact CD1-CB 4.09Å; L281-V339 HydrophobicContact CD1-CG1 4.01Å; L281-V339 HydrophobicContact CD1-CG2 4.48Å; L281-V339 HydrophobicContact CD2-CB 4.48Å; L281-V339 HydrophobicContact CD2-CG1 4.14Å; L281-V339 HydrophobicContact CD2-CG2 4.18Å; L281-L340 HydrophobicContact CD1-CD2 3.53Å
282T86.3Confident80.6Confident4 Ų416.9 Ų16.93%0.02510%0.095CC..Hα-helixtrans-56.1-53.5175.1-610000110.6L273 S278 L279 G280 R284 L285 W286L273-T282 HydrophobicContact CB-CG2 3.95Å; L273-T282 PolarHBondContact O-OG1 3.21Å; S278-T282 PolarHBondContact O-N 2.93Å; S278-T282 PolarHBondContact O-OG1 3.13Å; L279-T282 WeakPolarHBondContact O-CB 3.49Å; L279-T282 PolarHBondContact O-N 3.45Å; G280-T282 VanDerWaalsContact C-N 3.33Å; G280-T282 PolarHBondContact O-N 3.24Å; T282-R284 VanDerWaalsContact C-N 3.26Å; T282-R284 PolarHBondContact O-N 3.45Å; T282-L285 PolarHBondContact O-N 3.5Å; T282-L285 VanDerWaalsContact O-N 3.09Å; T282-W286 PolarHBondContact O-N 3.13Å
283L89.2Confident81.9Confident0 Ų016.3 Ų16.30%09%0.093CC..Hα-helixtrans-56.3-40.7177.8-68.6166.6000112.6L49 W111 L196 Y200 L279 G280 W286 D287L49-L283 HydrophobicContact CD2-CD1 4.3Å; W111-L283 HydrophobicContact CH2-CD2 3.83Å; W111-L283 HydrophobicContact CZ2-CD2 4.27Å; L196-L283 HydrophobicContact CD1-CD2 3.6Å; L196-L283 HydrophobicContact CD1-CG 4.43Å; L196-L283 HydrophobicContact CG-CD2 4.33Å; Y200-L283 HydrophobicContact CD2-CD2 4.22Å; Y200-L283 HydrophobicContact CE2-CD1 4.14Å; Y200-L283 HydrophobicContact CE2-CD2 3.37Å; Y200-L283 HydrophobicContact CE2-CG 4.39Å; Y200-L283 WeakPolarHBondContact OH-CD1 3.46Å; L279-L283 HydrophobicContact CD1-CD1 4.27Å; L279-L283 HydrophobicContact CD1-CG 4.14Å; L279-L283 HydrophobicContact CG-CD1 4Å; L279-L283 HydrophobicContact CG-CG 4.37Å; L279-L283 VanDerWaalsContact O-CG 3.23Å; L279-L283 WeakPolarHBondContact O-CG 3.11Å; L279-L283 PolarHBondContact O-N 2.73Å; G280-L283 PolarHBondContact O-N 2.87Å; L283-W286 WeakPolarHBondContact O-CB 3.37Å; L283-W286 PolarHBondContact O-N 3.17Å; L283-D287 PolarHBondContact O-N 3.31Å
284R90.5Very high83Confident7 Ų719.7 Ų19.73%0.02611%0.109CC..Hα-helixtrans-69.3-35.3178-71.3-163.764.5-171.62.1113.9Y99 K100 G280 L281 T282 W286 V288 E336 D337 L340Y99-R284 PolarHBondContact O-NH2 3.02Å; K100-R284 VanDerWaalsContact C-NH2 3.32Å; K100-R284 PolarHBondContact O-NH2 3.24Å; K100-R284 VanDerWaalsContact O-NH2 3.15Å; G280-R284 WeakPolarHBondContact O-CG 3.5Å; G280-R284 PolarHBondContact O-N 3.31Å; G280-R284 VanDerWaalsContact O-N 3.12Å; L281-R284 PolarHBondContact O-N 3.35Å; T282-R284 VanDerWaalsContact C-N 3.26Å; T282-R284 PolarHBondContact O-N 3.45Å; R284-W286 VanDerWaalsContact C-N 3.33Å; R284-V288 WeakPolarHBondContact O-CG2 3.25Å; R284-V288 PolarHBondContact O-N 2.81Å; R284-E336 VanDerWaalsContact CD-OE2 3.32Å; R284-E336 WeakPolarHBondContact CD-OE2 3.27Å; R284-D337 IonicContact CZ-OD1 2.73Å; R284-D337 IonicContact NH1-OD1 2.72Å; R284-D337 PolarHBondContact NH1-OD1 3.28Å; R284-D337 IonicContact NH2-OD1 3.54Å; R284-D337 PolarHBondContact NH2-OD1 3.14Å; R284-D337 VanDerWaalsContact NH2-OD1 3.16Å; R284-L340 HydrophobicContact CB-CD2 4.09Å
285L89.2Confident84.2Confident1 Ų123 Ų231%0.00512%0.124CC..Hα-helixtrans-69.4-37.2174.3-67.1171.4000110.3L273 L281 T282 V288 Y289 I300 L340 L343L273-L285 HydrophobicContact CD2-CB 4Å; L273-L285 HydrophobicContact CD2-CD1 3.37Å; L273-L285 HydrophobicContact CD2-CG 4.31Å; L281-L285 HydrophobicContact CD1-CD1 4.05Å; L281-L285 HydrophobicContact CD1-CD2 4.4Å; L281-L285 HydrophobicContact CD1-CG 3.97Å; L281-L285 HydrophobicContact CG-CD1 3.89Å; L281-L285 HydrophobicContact CG-CG 4.29Å; L281-L285 VanDerWaalsContact O-CG 3.28Å; L281-L285 WeakPolarHBondContact O-CG 3.41Å; L281-L285 PolarHBondContact O-N 3.46Å; T282-L285 PolarHBondContact O-N 3.5Å; T282-L285 VanDerWaalsContact O-N 3.09Å; L285-V288 PolarHBondContact O-N 3.22Å; L285-Y289 WeakPolarHBondContact O-CB 3.44Å; L285-Y289 PolarHBondContact O-N 3.16Å; L285-I300 HydrophobicContact CB-CG2 4.07Å; L285-I300 HydrophobicContact CD1-CG2 4.2Å; L285-I300 HydrophobicContact CD2-CG1 4.33Å; L285-I300 HydrophobicContact CD2-CG2 4.21Å; L285-I300 HydrophobicContact CG-CG2 4.37Å; L285-L340 HydrophobicContact CD2-CD1 4.15Å; L285-L340 HydrophobicContact CD2-CD2 4.4Å; L285-L343 HydrophobicContact CD2-CD2 3.81Å
286W89.6Confident85.3Confident1 Ų117.5 Ų17.50%0.0049%0.094CC..Hα-helixtrans-63.2-44.3171.4-83.5100.2000112.7I193 L196 F197 L213 I270 T282 L283 R284 V288 Y289 L290I193-W286 HydrophobicContact CG2-CH2 3.99Å; L196-W286 HydrophobicContact CD2-CB 4.42Å; L196-W286 HydrophobicContact CD2-CD2 3.64Å; L196-W286 VanDerWaalsContact CD2-CE2 3.45Å; L196-W286 HydrophobicContact CD2-CE3 4.47Å; L196-W286 HydrophobicContact CD2-CG 3.56Å; L196-W286 HydrophobicContact CD2-CZ2 4.14Å; F197-W286 HydrophobicContact CZ-CZ3 4.39Å; L213-W286 HydrophobicContact CD1-CZ3 4.11Å; L213-W286 HydrophobicContact CD2-CH2 3.73Å; L213-W286 HydrophobicContact CD2-CZ3 3.66Å; I270-W286 HydrophobicContact CG1-CZ2 4.21Å; T282-W286 PolarHBondContact O-N 3.13Å; L283-W286 WeakPolarHBondContact O-CB 3.37Å; L283-W286 PolarHBondContact O-N 3.17Å; R284-W286 VanDerWaalsContact C-N 3.33Å; W286-V288 PolarHBondContact O-N 3.35Å; W286-Y289 HydrophobicContact CE3-CD1 4.02Å; W286-Y289 AromaticContact CZ3-CD1 3.99Å; W286-Y289 HydrophobicContact CZ3-CD1 3.99Å; W286-Y289 HydrophobicContact CZ3-CE1 4.26Å; W286-Y289 PolarHBondContact O-N 3.09Å; W286-Y289 VanDerWaalsContact O-N 3.11Å; W286-L290 WeakPolarHBondContact O-CG 3.38Å; W286-L290 PolarHBondContact O-N 3.34Å
287D92.7Very high86.4Confident0 Ų017.1 Ų17.10%09%0.091CC..Hα-helixtrans-55.2-41.7174.9-68.6-27.6000111.3M102 R107 W111 L283 V291M102-D287 VanDerWaalsContact CB-OD2 3.31Å; M102-D287 WeakPolarHBondContact CB-OD2 3.42Å; M102-D287 HydrophobicContact CE-CB 4.22Å; R107-D287 IonicContact NE-OD1 2.75Å; R107-D287 IonicContact NE-OD2 3.94Å; R107-D287 PolarHBondContact NE-OD2 3.42Å; R107-D287 IonicContact NH2-OD2 3.41Å; W111-D287 PolarHBondContact NE1-OD1 2.93Å; L283-D287 PolarHBondContact O-N 3.31Å; D287-V291 VanDerWaalsContact O-CG2 3.27Å; D287-V291 WeakPolarHBondContact O-CG2 3.46Å
288V92.8Very high86.9Confident1 Ų118.9 Ų18.91%0.00610%0.099CC..Hα-helixtrans-72-42.3176.9174.80000111.4Y99 R284 L285 W286 V291 E292 L340 L343Y99-V288 HydrophobicContact CD1-CG2 4.04Å; Y99-V288 HydrophobicContact CE1-CG1 3.83Å; Y99-V288 HydrophobicContact CE1-CG2 4.15Å; Y99-V288 HydrophobicContact CE2-CG1 4.23Å; Y99-V288 HydrophobicContact CG-CG2 4.33Å; R284-V288 WeakPolarHBondContact O-CG2 3.25Å; R284-V288 PolarHBondContact O-N 2.81Å; L285-V288 PolarHBondContact O-N 3.22Å; W286-V288 PolarHBondContact O-N 3.35Å; V288-V291 PolarHBondContact O-N 2.78Å; V288-E292 HydrophobicContact CG1-CG 3.95Å; V288-E292 WeakPolarHBondContact O-CB 3.25Å; V288-E292 PolarHBondContact O-N 3.15Å; V288-L340 HydrophobicContact CG2-CD1 3.74Å; V288-L343 HydrophobicContact CB-CD2 4.39Å; V288-L343 HydrophobicContact CG1-CD2 3.93Å
289Y90.4Very high87.2Confident1 Ų117.2 Ų17.20%0.0049%0.087CC..Hα-helixtrans-61.4-44.7179.9179.4-118.9000112.3L213 H219 L266 L285 W286 V291 G293 L297 I300L213-Y289 HydrophobicContact CD1-CD1 4.48Å; L213-Y289 HydrophobicContact CD1-CE1 3.87Å; H219-Y289 PolarHBondContact O-OH 3.48Å; L266-Y289 HydrophobicContact CD1-CE1 4.14Å; L285-Y289 WeakPolarHBondContact O-CB 3.44Å; L285-Y289 PolarHBondContact O-N 3.16Å; W286-Y289 HydrophobicContact CE3-CD1 4.02Å; W286-Y289 AromaticContact CZ3-CD1 3.99Å; W286-Y289 HydrophobicContact CZ3-CD1 3.99Å; W286-Y289 HydrophobicContact CZ3-CE1 4.26Å; W286-Y289 PolarHBondContact O-N 3.09Å; W286-Y289 VanDerWaalsContact O-N 3.11Å; Y289-V291 PolarHBondContact O-N 2.82Å; Y289-G293 VanDerWaalsContact O-CA 3.29Å; Y289-G293 WeakPolarHBondContact O-CA 3.23Å; Y289-G293 PolarHBondContact O-N 3.22Å; Y289-L297 HydrophobicContact CD2-CD1 4.36Å; Y289-L297 HydrophobicContact CE2-CB 4.05Å; Y289-L297 HydrophobicContact CE2-CD1 3.68Å; Y289-L297 HydrophobicContact CE2-CG 4.46Å; Y289-I300 HydrophobicContact CD2-CD1 4.45Å
290L91Very high87.3Confident4 Ų416.2 Ų16.22%0.0218%0.082CC..Hα-helixtrans-63.6-29.7178.7-68.5174.6000112.3W111 L114 L115 L213 H219 W286W111-L290 HydrophobicContact CB-CD1 4.32Å; W111-L290 VanDerWaalsContact CD1-CD1 3.49Å; W111-L290 HydrophobicContact CD2-CD1 3.87Å; W111-L290 HydrophobicContact CG-CD1 3.65Å; L114-L290 HydrophobicContact CD1-CB 4Å; L115-L290 HydrophobicContact CD1-CD2 4.1Å; L115-L290 HydrophobicContact CD2-CD2 3.79Å; L115-L290 HydrophobicContact CG-CD2 4.1Å; L213-L290 HydrophobicContact CD1-CD2 3.9Å; H219-L290 PolarHBondContact NE2-O 2.7Å; W286-L290 WeakPolarHBondContact O-CG 3.38Å; W286-L290 PolarHBondContact O-N 3.34Å
291V91.5Very high87Confident26 Ų2616.2 Ų16.216%0.1588%0.081CC..Hα-helixtrans-86.5-43.6-179.9172.90000113.1L94 I95 A98 L114 D287 V288 Y289L94-V291 HydrophobicContact CD2-CG1 4.29Å; L94-V291 HydrophobicContact CG-CG1 4.06Å; L94-V291 HydrophobicContact CG-CG2 4.4Å; I95-V291 HydrophobicContact CB-CG1 4.41Å; I95-V291 HydrophobicContact CG1-CG1 3.85Å; A98-V291 HydrophobicContact CB-CB 4.23Å; A98-V291 HydrophobicContact CB-CG1 4.32Å; A98-V291 HydrophobicContact CB-CG2 3.96Å; L114-V291 HydrophobicContact CD1-CG2 3.78Å; L114-V291 HydrophobicContact CD2-CG2 3.9Å; D287-V291 VanDerWaalsContact O-CG2 3.27Å; D287-V291 WeakPolarHBondContact O-CG2 3.46Å; V288-V291 PolarHBondContact O-N 2.78Å; Y289-V291 PolarHBondContact O-N 2.82Å
292E89.5Confident86.7Confident41 Ų4121.6 Ų21.619%0.19210%0.101CC..Hα-helixtrans-89.5-20.8-175.5-67.3-96-142.900113.2I95 Y99 V288 A296 M347I95-E292 HydrophobicContact CG2-CG 4.45Å; I95-E292 WeakPolarHBondContact CG2-OE1 3.2Å; Y99-E292 HydrophobicContact CE2-CG 4.38Å; Y99-E292 WeakPolarHBondContact CE2-OE1 3.32Å; Y99-E292 PolarHBondContact OH-OE1 3.39Å; V288-E292 HydrophobicContact CG1-CG 3.95Å; V288-E292 WeakPolarHBondContact O-CB 3.25Å; V288-E292 PolarHBondContact O-N 3.15Å; E292-A296 HydrophobicContact CB-CB 3.76Å; E292-M347 HydrophobicContact CB-CE 4.13Å; E292-M347 HydrophobicContact CG-CE 4.22Å
293G85.7Confident86.4Confident6 Ų622.3 Ų22.36%0.06210%0.104CC..G310 helixtrans74.5-157.3-178.900000114.2R218 Y289 Q295 A296R218-G293 CarbonylContact O-C 3.5Å; R218-G293 VanDerWaalsContact O-CA 3.23Å; R218-G293 WeakPolarHBondContact O-CA 3.42Å; Y289-G293 VanDerWaalsContact O-CA 3.29Å; Y289-G293 WeakPolarHBondContact O-CA 3.23Å; Y289-G293 PolarHBondContact O-N 3.22Å; G293-Q295 PolarHBondContact O-N 2.87Å; G293-A296 PolarHBondContact O-N 3.11Å
294E83.5Confident85.7Confident72 Ų7222.3 Ų22.334%0.33611%0.105SC..G310 helixtrans-48.4-35.2-176.8-169-167.4-17700113.7R218 L221 A296 L297R218-E294 PolarHBondContact O-N 3.47Å; L221-E294 WeakPolarHBondContact CA-OE1 3.14Å; L221-E294 HydrophobicContact CD2-CG 3.7Å; L221-E294 WeakPolarHBondContact CD2-OE1 3.14Å; L221-E294 HydrophobicContact CG-CG 4.29Å; E294-A296 PolarHBondContact O-N 3.36Å; E294-A296 VanDerWaalsContact O-N 3.14Å; E294-L297 WeakPolarHBondContact O-CB 3.29Å; E294-L297 PolarHBondContact O-N 3.1Å
295Q84.4Confident84.8Confident102 Ų10225.8 Ų25.848%0.47712%0.12SC..G310 helixtrans-60.5-27.9-178.6-55.5-177.690.400113.3G293 P299 M347G293-Q295 PolarHBondContact O-N 2.87Å; Q295-P299 WeakPolarHBondContact O-CD 3.47Å; Q295-M347 HydrophobicContact CB-CE 4.35Å
296A86.4Confident84.3Confident0 Ų030.6 Ų30.60%014%0.141CC..G310 helixtrans-82.1-17177.500000112.8E292 G293 E294 M298 P299 I300 M347E292-A296 HydrophobicContact CB-CB 3.76Å; G293-A296 PolarHBondContact O-N 3.11Å; E294-A296 PolarHBondContact O-N 3.36Å; E294-A296 VanDerWaalsContact O-N 3.14Å; A296-M298 PolarHBondContact O-N 3.2Å; A296-P299 WeakPolarHBondContact O-CD 3.37Å; A296-I300 HydrophobicContact CB-CD1 3.79Å; A296-I300 HydrophobicContact CB-CG1 4.39Å; A296-I300 VanDerWaalsContact O-CB 3.31Å; A296-I300 WeakPolarHBondContact O-CB 3.45Å; A296-I300 WeakPolarHBondContact O-CD1 3.31Å; A296-I300 WeakPolarHBondContact O-CG1 3.21Å; A296-I300 PolarHBondContact O-N 3.05Å; A296-M347 HydrophobicContact CB-CE 3.93Å; A296-M347 HydrophobicContact CB-SD 4.21Å
297L81.7Confident83.4Confident0 Ų031.3 Ų31.30%015%0.145CC..Hα-helixtrans-58.5-51.3-172.7-168.974.5000112.2L221 P265 L266 L269 Y289 E294 I300 T301L221-L297 HydrophobicContact CD1-CD2 3.56Å; L221-L297 HydrophobicContact CD2-CD2 3.91Å; L221-L297 HydrophobicContact CG-CD2 3.79Å; P265-L297 HydrophobicContact CB-CD2 4.19Å; L266-L297 HydrophobicContact CD1-CD1 3.68Å; L269-L297 HydrophobicContact CB-CD1 4.02Å; L269-L297 HydrophobicContact CD1-CD1 3.6Å; L269-L297 HydrophobicContact CD1-CG 4.21Å; L269-L297 WeakPolarHBondContact CD1-O 3.17Å; L269-L297 HydrophobicContact CD2-CD1 3.72Å; L269-L297 HydrophobicContact CG-CD1 3.97Å; Y289-L297 HydrophobicContact CD2-CD1 4.36Å; Y289-L297 HydrophobicContact CE2-CB 4.05Å; Y289-L297 HydrophobicContact CE2-CD1 3.68Å; Y289-L297 HydrophobicContact CE2-CG 4.46Å; E294-L297 WeakPolarHBondContact O-CB 3.29Å; E294-L297 PolarHBondContact O-N 3.1Å; L297-I300 PolarHBondContact O-N 3.19Å; L297-T301 WeakPolarHBondContact O-CB 3.27Å; L297-T301 PolarHBondContact O-N 3.27Å; L297-T301 PolarHBondContact O-OG1 2.71Å
298M78.8Confident82.2Confident52 Ų5234 Ų3426%0.25616%0.158SC..Hα-helixtrans-66.8-46.8-178.5-68-59.4-63.600112.5P265 A296 I300 T301 R302P265-M298 HydrophobicContact CB-SD 4.49Å; A296-M298 PolarHBondContact O-N 3.2Å; M298-I300 PolarHBondContact O-N 3.29Å; M298-T301 PolarHBondContact O-N 2.8Å; M298-R302 WeakPolarHBondContact O-CB 3.43Å; M298-R302 PolarHBondContact O-N 3.08Å
299P86.3Confident81Confident11 Ų1135.9 Ų35.97%0.07117%0.167CC..Hα-helixtrans-58.3-41.9172.1-30.539.8000114.2Q295 A296 I303 L343 M347 L350Q295-P299 WeakPolarHBondContact O-CD 3.47Å; A296-P299 WeakPolarHBondContact O-CD 3.37Å; P299-I303 WeakPolarHBondContact O-CG1 3.13Å; P299-I303 PolarHBondContact O-N 2.8Å; P299-L343 HydrophobicContact CB-CD1 3.61Å; P299-M347 HydrophobicContact CB-CG 4.47Å; P299-M347 HydrophobicContact CB-SD 4.05Å; P299-M347 HydrophobicContact CG-SD 3.67Å; P299-L350 HydrophobicContact CG-CD2 4.39Å
300I84.8Confident79.8Confident0 Ų039.2 Ų39.20%018%0.181CC..Hα-helixtrans-63.6-50.1176.3-68.2167.8000109.6L269 L273 L285 Y289 A296 L297 M298 R302 I303 A304 L343L269-I300 HydrophobicContact CD1-CB 3.67Å; L269-I300 HydrophobicContact CD1-CG2 3.4Å; L269-I300 VanDerWaalsContact CD1-CG2 3.4Å; L269-I300 HydrophobicContact CG-CG2 4.3Å; L273-I300 HydrophobicContact CD2-CG2 4.33Å; L285-I300 HydrophobicContact CB-CG2 4.07Å; L285-I300 HydrophobicContact CD1-CG2 4.2Å; L285-I300 HydrophobicContact CD2-CG1 4.33Å; L285-I300 HydrophobicContact CD2-CG2 4.21Å; L285-I300 HydrophobicContact CG-CG2 4.37Å; Y289-I300 HydrophobicContact CD2-CD1 4.45Å; A296-I300 HydrophobicContact CB-CD1 3.79Å; A296-I300 HydrophobicContact CB-CG1 4.39Å; A296-I300 VanDerWaalsContact O-CB 3.31Å; A296-I300 WeakPolarHBondContact O-CB 3.45Å; A296-I300 WeakPolarHBondContact O-CD1 3.31Å; A296-I300 WeakPolarHBondContact O-CG1 3.21Å; A296-I300 PolarHBondContact O-N 3.05Å; L297-I300 PolarHBondContact O-N 3.19Å; M298-I300 PolarHBondContact O-N 3.29Å; I300-R302 VanDerWaalsContact C-N 3.29Å; I300-R302 PolarHBondContact O-N 3.33Å; I300-I303 PolarHBondContact O-N 2.77Å; I300-I303 VanDerWaalsContact O-N 3.08Å; I300-A304 VanDerWaalsContact O-CB 3.25Å; I300-A304 WeakPolarHBondContact O-CB 3.46Å; I300-A304 PolarHBondContact O-N 3.14Å; I300-L343 HydrophobicContact CD1-CD2 4.47Å; I300-L343 HydrophobicContact CG1-CD1 3.8Å; I300-L343 HydrophobicContact CG1-CD2 3.79Å; I300-L343 HydrophobicContact CG1-CG 4.47Å
301T77.2Confident78.3Confident4 Ų443.6 Ų43.63%0.02520%0.197CC..Hα-helixtrans-56-45179.3-56.50000111L269 I272 L297 M298 I303 A304 F305L269-T301 WeakPolarHBondContact CD1-OG1 3.38Å; I272-T301 HydrophobicContact CD1-CG2 4.09Å; L297-T301 WeakPolarHBondContact O-CB 3.27Å; L297-T301 PolarHBondContact O-N 3.27Å; L297-T301 PolarHBondContact O-OG1 2.71Å; M298-T301 PolarHBondContact O-N 2.8Å; T301-I303 PolarHBondContact O-N 3.36Å; T301-A304 PolarHBondContact O-N 2.79Å; T301-F305 WeakPolarHBondContact O-CB 3.34Å; T301-F305 PolarHBondContact O-N 3.41Å
302R78.7Confident76.8Confident121 Ų12146.2 Ų46.246%0.45721%0.21SC..Hα-helixtrans-63.2-40.6178.1-173.5176.2-171.4169.63.6112.7M298 I300 K306M298-R302 WeakPolarHBondContact O-CB 3.43Å; M298-R302 PolarHBondContact O-N 3.08Å; I300-R302 VanDerWaalsContact C-N 3.29Å; I300-R302 PolarHBondContact O-N 3.33Å; R302-K306 WeakPolarHBondContact O-CB 3.48Å; R302-K306 VanDerWaalsContact O-CG 3.31Å; R302-K306 WeakPolarHBondContact O-CG 2.96Å; R302-K306 PolarHBondContact O-N 3.48Å; R302-K306 VanDerWaalsContact O-N 3.09Å
303I80.6Confident75.3Confident18 Ų1846.8 Ų46.89%0.09222%0.217CC..Hα-helixtrans-68.5-44.6177.2-74.8175.4000110.2P299 I300 T301 F305 K306 V307 V339 L343P299-I303 WeakPolarHBondContact O-CG1 3.13Å; P299-I303 PolarHBondContact O-N 2.8Å; I300-I303 PolarHBondContact O-N 2.77Å; I300-I303 VanDerWaalsContact O-N 3.08Å; T301-I303 PolarHBondContact O-N 3.36Å; I303-F305 PolarHBondContact O-N 3.01Å; I303-K306 WeakPolarHBondContact O-CB 3.41Å; I303-K306 PolarHBondContact O-N 3.5Å; I303-K306 VanDerWaalsContact O-N 3.16Å; I303-V307 HydrophobicContact CG2-CG2 4.48Å; I303-V307 WeakPolarHBondContact O-CG2 3.5Å; I303-V307 PolarHBondContact O-N 3.13Å; I303-V339 HydrophobicContact CG2-CG1 3.43Å; I303-V339 VanDerWaalsContact CG2-CG1 3.43Å; I303-L343 HydrophobicContact CD1-CB 3.49Å; I303-L343 VanDerWaalsContact CD1-CB 3.49Å; I303-L343 HydrophobicContact CD1-CD1 3.72Å; I303-L343 HydrophobicContact CD1-CG 4.18Å
304A75.3Confident73.5Confident1 Ų149.9 Ų49.91%0.00823%0.228CC..Hα-helixtrans-60.5-46.2-18000000110.7I272 L273 I277 I300 T301 K306 V307 Q308I272-A304 HydrophobicContact CB-CB 4.29Å; I272-A304 VanDerWaalsContact CG2-C 3.47Å; I272-A304 HydrophobicContact CG2-CB 3.35Å; L273-A304 HydrophobicContact CD2-CB 4.46Å; I277-A304 HydrophobicContact CD1-CB 3.59Å; I300-A304 VanDerWaalsContact O-CB 3.25Å; I300-A304 WeakPolarHBondContact O-CB 3.46Å; I300-A304 PolarHBondContact O-N 3.14Å; T301-A304 PolarHBondContact O-N 2.79Å; A304-K306 PolarHBondContact O-N 3.08Å; A304-V307 WeakPolarHBondContact O-CB 3.32Å; A304-V307 PolarHBondContact O-N 2.99Å; A304-V307 VanDerWaalsContact O-N 3.14Å; A304-Q308 PolarHBondContact O-N 3.04Å
305F71.3Confident71.9Confident80 Ų8052.4 Ų52.435%0.35125%0.249SC..Hα-helixtrans-60-43.7173.4-173.1-95.7000112.5T301 I303 V307 Q308 Q309T301-F305 WeakPolarHBondContact O-CB 3.34Å; T301-F305 PolarHBondContact O-N 3.41Å; I303-F305 PolarHBondContact O-N 3.01Å; F305-V307 VanDerWaalsContact C-N 3.29Å; F305-V307 PolarHBondContact O-N 2.97Å; F305-Q308 PolarHBondContact O-N 3.12Å; F305-Q309 HydrophobicContact CE1-CB 4.48Å; F305-Q309 WeakPolarHBondContact O-CB 3.25Å; F305-Q309 PolarHBondContact O-N 3.28Å
306K77.3Confident70.1Confident102 Ų10251.9 Ų51.944%0.44326%0.257SS..Hα-helixtrans-62-35.9175.4-79.4178.6176.8-175.20112.8R302 I303 A304 K310R302-K306 WeakPolarHBondContact O-CB 3.48Å; R302-K306 VanDerWaalsContact O-CG 3.31Å; R302-K306 WeakPolarHBondContact O-CG 2.96Å; R302-K306 PolarHBondContact O-N 3.48Å; R302-K306 VanDerWaalsContact O-N 3.09Å; I303-K306 WeakPolarHBondContact O-CB 3.41Å; I303-K306 PolarHBondContact O-N 3.5Å; I303-K306 VanDerWaalsContact O-N 3.16Å; A304-K306 PolarHBondContact O-N 3.08Å; K306-K310 WeakPolarHBondContact O-CB 3.46Å; K306-K310 WeakPolarHBondContact O-CD 3.31Å; K306-K310 WeakPolarHBondContact O-CG 3.21Å; K306-K310 PolarHBondContact O-N 3.08Å
307V71.5Confident67.7Low15 Ų1560.8 Ų60.89%0.09129%0.29CS..Hα-helixtrans-68.4-45.9175.91720000109.9I277 I303 A304 F305 K310 R311 W332I277-V307 HydrophobicContact CG1-CG1 4.17Å; I303-V307 HydrophobicContact CG2-CG2 4.48Å; I303-V307 WeakPolarHBondContact O-CG2 3.5Å; I303-V307 PolarHBondContact O-N 3.13Å; A304-V307 WeakPolarHBondContact O-CB 3.32Å; A304-V307 PolarHBondContact O-N 2.99Å; A304-V307 VanDerWaalsContact O-N 3.14Å; F305-V307 VanDerWaalsContact C-N 3.29Å; F305-V307 PolarHBondContact O-N 2.97Å; V307-K310 PolarHBondContact O-N 3.34Å; V307-R311 PolarHBondContact O-N 3.05Å; V307-W332 HydrophobicContact CG2-CE3 4.46Å
308Q67.6Low65.5Low58 Ų5867.8 Ų67.827%0.27134%0.337SS..Hα-helixtrans-65.6-48.5179.9-173.5-177.5-10.500112.8A304 F305 K310 R311 L312A304-Q308 PolarHBondContact O-N 3.04Å; F305-Q308 PolarHBondContact O-N 3.12Å; Q308-K310 PolarHBondContact O-N 3.36Å; Q308-R311 WeakPolarHBondContact O-CA 3.37Å; Q308-R311 WeakPolarHBondContact O-CB 3.38Å; Q308-R311 PolarHBondContact O-N 3.23Å; Q308-L312 HydrophobicContact CG-CD1 4.28Å; Q308-L312 PolarHBondContact O-N 2.93Å
309Q68.2Low64.1Low39 Ų3967 Ų6718%0.18234%0.342CS..Hα-helixtrans-57.4-37.3179.2-168.8-173.415.100111.6F305 L312 T313F305-Q309 HydrophobicContact CE1-CB 4.48Å; F305-Q309 WeakPolarHBondContact O-CB 3.25Å; F305-Q309 PolarHBondContact O-N 3.28Å; Q309-L312 PolarHBondContact O-N 2.53Å; Q309-T313 WeakPolarHBondContact O-CG2 3.4Å; Q309-T313 PolarHBondContact O-N 2.95Å; Q309-T313 PolarHBondContact O-OG1 3.12Å
310K64.1Low62.2Low72 Ų7271.1 Ų71.131%0.31337%0.369SS..Hα-helixtrans-71.7-28.4176.5-72.4179.6179.1-172.70113.4K306 V307 Q308 T313 V329K306-K310 WeakPolarHBondContact O-CB 3.46Å; K306-K310 WeakPolarHBondContact O-CD 3.31Å; K306-K310 WeakPolarHBondContact O-CG 3.21Å; K306-K310 PolarHBondContact O-N 3.08Å; V307-K310 PolarHBondContact O-N 3.34Å; Q308-K310 PolarHBondContact O-N 3.36Å; K310-T313 WeakPolarHBondContact CA-OG1 3.32Å; K310-T313 PolarHBondContact O-OG1 2.92Å; K310-T313 VanDerWaalsContact O-OG1 3.13Å; K310-V329 HydrophobicContact CB-CG2 3.85Å
311R60.6Low59.9Low96 Ų9679 Ų7936%0.36240%0.399SS..Hα-helixtrans-71.6-44.9170.7-72.4-179.3175.5-161.3-4.8111G276 V307 Q308 T313 K314G276-R311 WeakPolarHBondContact O-CD 3.43Å; G276-R311 PolarHBondContact O-NH1 3.33Å; V307-R311 PolarHBondContact O-N 3.05Å; Q308-R311 WeakPolarHBondContact O-CA 3.37Å; Q308-R311 WeakPolarHBondContact O-CB 3.38Å; Q308-R311 PolarHBondContact O-N 3.23Å; R311-T313 VanDerWaalsContact C-N 3.33Å; R311-T313 PolarHBondContact O-N 3.13Å; R311-K314 WeakPolarHBondContact O-CB 3.4Å; R311-K314 PolarHBondContact O-N 2.91Å; R311-K314 VanDerWaalsContact O-N 3.09Å
312L58.6Low58Low80 Ų8079.8 Ų79.842%0.41941%0.406SS..Hα-helixtrans-63.6-37.6179.1-69.1173.3000112.7Q308 Q309 K314 T315Q308-L312 HydrophobicContact CG-CD1 4.28Å; Q308-L312 PolarHBondContact O-N 2.93Å; Q309-L312 PolarHBondContact O-N 2.53Å; L312-K314 PolarHBondContact O-N 3.07Å; L312-T315 PolarHBondContact O-N 3.15Å; L312-T315 VanDerWaalsContact O-N 3.13Å
313T57.6Low56.1Low54 Ų5483 Ų8333%0.33142%0.418SS..Hα-helixtrans-68.6-15175.647.10000114Q309 K310 R311Q309-T313 WeakPolarHBondContact O-CG2 3.4Å; Q309-T313 PolarHBondContact O-N 2.95Å; Q309-T313 PolarHBondContact O-OG1 3.12Å; K310-T313 WeakPolarHBondContact CA-OG1 3.32Å; K310-T313 PolarHBondContact O-OG1 2.92Å; K310-T313 VanDerWaalsContact O-OG1 3.13Å; R311-T313 VanDerWaalsContact C-N 3.33Å; R311-T313 PolarHBondContact O-N 3.13Å
314K49Very low53.9Low70 Ų7087.3 Ų87.330%0.30444%0.436SS..Hα-helixtrans-72.4-31.7169.2-78.4-164.8174.7-171.10112.7R311 L312 N326 V329 D330R311-K314 WeakPolarHBondContact O-CB 3.4Å; R311-K314 PolarHBondContact O-N 2.91Å; R311-K314 VanDerWaalsContact O-N 3.09Å; L312-K314 PolarHBondContact O-N 3.07Å; K314-N326 WeakPolarHBondContact CD-OD1 3.48Å; K314-N326 WeakPolarHBondContact CE-OD1 3.47Å; K314-N326 PolarHBondContact NZ-OD1 3.34Å; K314-V329 HydrophobicContact CD-CB 4.37Å; K314-V329 HydrophobicContact CD-CG1 4.12Å; K314-V329 HydrophobicContact CD-CG2 4.46Å; K314-V329 HydrophobicContact CG-CG2 4.43Å; K314-V329 VanDerWaalsContact NZ-CG1 3.31Å; K314-D330 IonicContact NZ-OD1 2.81Å; K314-D330 PolarHBondContact NZ-OD1 3.16Å
315T49.1Very low51.8Low126 Ų12688.2 Ų88.277%0.77344%0.442SS*.Hα-helixtrans-85.1-23.9-172.5-47.70000112.6L312L312-T315 PolarHBondContact O-N 3.15Å; L312-T315 VanDerWaalsContact O-N 3.13Å
316S46.3Very low50.1Low91 Ų9187.2 Ų87.264%0.63644%0.441SS*.SBendtrans-101.50.2-168.865.20000117.3
317R36.8Very low47.8Very low187 Ų18791.6 Ų91.671%0.70646%0.455SS*.  trans-145.9107-179.5-72.5-174132.6170.9-5.6114.1G319R317-G319 PolarHBondContact O-N 3.15Å
318C36.3Very low45.9Very low147 Ų14795.3 Ų95.399%0.99347%0.47SS*.  trans-75.7110.4165.8-159.30000109.2
319G49.8Very low44.5Very low35 Ų3593.1 Ų93.136%0.36146%0.46SS..SBendtrans173.3170.9177.700000112.9R317 W321 A322R317-G319 PolarHBondContact O-N 3.15Å; G319-W321 PolarHBondContact O-N 2.72Å; G319-A322 WeakPolarHBondContact O-CB 3.43Å; G319-A322 PolarHBondContact O-N 2.78Å
320P45.7Very low43.2Very low97 Ų9795.3 Ų95.363%0.6347%0.473SS*.Hα-helixtrans-54.6-26.1-178.4-26.134.1000114.5A322 R323P320-A322 VanDerWaalsContact C-N 3.28Å; P320-A322 PolarHBondContact O-N 2.95Å; P320-R323 WeakPolarHBondContact O-CB 3.42Å; P320-R323 PolarHBondContact O-N 2.8Å; P320-R323 VanDerWaalsContact O-N 3.16Å
321W36.7Very low42Very low165 Ų16595.2 Ų95.263%0.62548%0.479SS*.Hα-helixtrans-63.2-30.1173.1-166.7-106.4000113.3G319 R323 F324 C325G319-W321 PolarHBondContact O-N 2.72Å; W321-R323 VanDerWaalsContact C-N 3.26Å; W321-R323 PolarHBondContact O-N 3.18Å; W321-F324 HydrophobicContact CH2-CD1 4.13Å; W321-F324 HydrophobicContact CH2-CE1 4.3Å; W321-F324 HydrophobicContact CZ2-CD1 4.38Å; W321-F324 HydrophobicContact CZ3-CD1 4.24Å; W321-F324 PolarHBondContact O-N 3.39Å; W321-F324 VanDerWaalsContact O-N 3.14Å; W321-C325 PolarHBondContact NE1-SG 3.1Å; W321-C325 PolarHBondContact O-N 3.12Å
322A37.6Very low41.3Very low22 Ų2292.9 Ų92.918%0.18247%0.47CS..Hα-helixtrans-61-35.1173.400000111.7G319 P320 C325 N326G319-A322 WeakPolarHBondContact O-CB 3.43Å; G319-A322 PolarHBondContact O-N 2.78Å; P320-A322 VanDerWaalsContact C-N 3.28Å; P320-A322 PolarHBondContact O-N 2.95Å; A322-C325 PolarHBondContact O-N 2.97Å; A322-N326 WeakPolarHBondContact O-CB 3.42Å; A322-N326 PolarHBondContact O-N 3Å; A322-N326 PolarHBondContact O-ND2 3.34Å; A322-N326 VanDerWaalsContact O-ND2 3.17Å
323R37.2Very low40.8Very low189 Ų18991.7 Ų91.771%0.71347%0.472SS*.Hα-helixtrans-67-36.7174.9-70.3-171.3-76.6-146.2-2.1112.3P320 W321 N326 R327P320-R323 WeakPolarHBondContact O-CB 3.42Å; P320-R323 PolarHBondContact O-N 2.8Å; P320-R323 VanDerWaalsContact O-N 3.16Å; W321-R323 VanDerWaalsContact C-N 3.26Å; W321-R323 PolarHBondContact O-N 3.18Å; R323-N326 PolarHBondContact O-N 3.18Å; R323-R327 PolarHBondContact O-N 2.94Å; R323-R327 VanDerWaalsContact O-N 3.15Å
324F34.9Very low40.6Very low107 Ų10798.1 Ų98.147%0.46949%0.49SS..Hα-helixtrans-70.2-45.7175.8-171.8-98.3000111.8W321 N326 R327 F328W321-F324 HydrophobicContact CH2-CD1 4.13Å; W321-F324 HydrophobicContact CH2-CE1 4.3Å; W321-F324 HydrophobicContact CZ2-CD1 4.38Å; W321-F324 HydrophobicContact CZ3-CD1 4.24Å; W321-F324 PolarHBondContact O-N 3.39Å; W321-F324 VanDerWaalsContact O-N 3.14Å; F324-N326 VanDerWaalsContact C-N 3.29Å; F324-N326 PolarHBondContact O-N 3.38Å; F324-R327 PolarHBondContact O-N 3.18Å; F324-F328 HydrophobicContact CD1-CD2 4.29Å; F324-F328 HydrophobicContact CD1-CE2 4.44Å; F324-F328 AromaticContact CE1-CD2 3.93Å; F324-F328 HydrophobicContact CE1-CD2 3.93Å; F324-F328 AromaticContact CE1-CE2 3.74Å; F324-F328 HydrophobicContact CE1-CE2 3.74Å; F324-F328 AromaticContact CE2-CE2 3.86Å; F324-F328 HydrophobicContact CE2-CE2 3.86Å; F324-F328 HydrophobicContact CZ-CD2 4.07Å; F324-F328 AromaticContact CZ-CE2 3.42Å; F324-F328 HydrophobicContact CZ-CE2 3.42Å; F324-F328 VanDerWaalsContact CZ-CE2 3.42Å; F324-F328 HydrophobicContact CZ-CZ 4.34Å; F324-F328 PolarHBondContact O-N 3.42Å
325C31Very low41.8Very low20 Ų2096.6 Ų96.614%0.13549%0.485CS..Hα-helixtrans-62-36.4172.7-710000112W321 A322 F328 V329W321-C325 PolarHBondContact NE1-SG 3.1Å; W321-C325 PolarHBondContact O-N 3.12Å; A322-C325 PolarHBondContact O-N 2.97Å; C325-F328 PolarHBondContact O-N 3.35Å; C325-V329 WeakPolarHBondContact O-CB 3.35Å; C325-V329 WeakPolarHBondContact O-CG2 3.36Å; C325-V329 PolarHBondContact O-N 3.23Å
326N35.9Very low43.3Very low59 Ų5992.7 Ų92.732%0.31646%0.458SS..Hα-helixtrans-59.8-48.4174.9-77.8-22.6000111.4K314 A322 R323 F324 F328 V329 D330K314-N326 WeakPolarHBondContact CD-OD1 3.48Å; K314-N326 WeakPolarHBondContact CE-OD1 3.47Å; K314-N326 PolarHBondContact NZ-OD1 3.34Å; A322-N326 WeakPolarHBondContact O-CB 3.42Å; A322-N326 PolarHBondContact O-N 3Å; A322-N326 PolarHBondContact O-ND2 3.34Å; A322-N326 VanDerWaalsContact O-ND2 3.17Å; R323-N326 PolarHBondContact O-N 3.18Å; F324-N326 VanDerWaalsContact C-N 3.29Å; F324-N326 PolarHBondContact O-N 3.38Å; N326-F328 VanDerWaalsContact C-N 3.3Å; N326-F328 PolarHBondContact O-N 2.96Å; N326-V329 PolarHBondContact O-N 3.32Å; N326-D330 WeakPolarHBondContact O-CB 3.41Å; N326-D330 PolarHBondContact O-N 3.09Å
327R29.3Very low45.2Very low194 Ų19490.5 Ų90.573%0.73244%0.439SS*.Hα-helixtrans-58.7-39.8179.5-166.1173.1178.6-172.6-0.5112.9R323 F324 T331R323-R327 PolarHBondContact O-N 2.94Å; R323-R327 VanDerWaalsContact O-N 3.15Å; F324-R327 PolarHBondContact O-N 3.18Å; R327-T331 PolarHBondContact O-N 3.06Å; R327-T331 PolarHBondContact O-OG1 3.12Å
328F31.5Very low47.5Very low94 Ų9483 Ų8341%0.41241%0.414SS..Hα-helixtrans-77.1-38.6176.3-82.5-82000112.9F324 C325 N326 D330 T331 W332F324-F328 HydrophobicContact CD1-CD2 4.29Å; F324-F328 HydrophobicContact CD1-CE2 4.44Å; F324-F328 AromaticContact CE1-CD2 3.93Å; F324-F328 HydrophobicContact CE1-CD2 3.93Å; F324-F328 AromaticContact CE1-CE2 3.74Å; F324-F328 HydrophobicContact CE1-CE2 3.74Å; F324-F328 AromaticContact CE2-CE2 3.86Å; F324-F328 HydrophobicContact CE2-CE2 3.86Å; F324-F328 HydrophobicContact CZ-CD2 4.07Å; F324-F328 AromaticContact CZ-CE2 3.42Å; F324-F328 HydrophobicContact CZ-CE2 3.42Å; F324-F328 VanDerWaalsContact CZ-CE2 3.42Å; F324-F328 HydrophobicContact CZ-CZ 4.34Å; F324-F328 PolarHBondContact O-N 3.42Å; C325-F328 PolarHBondContact O-N 3.35Å; N326-F328 VanDerWaalsContact C-N 3.3Å; N326-F328 PolarHBondContact O-N 2.96Å; F328-D330 VanDerWaalsContact C-N 3.32Å; F328-T331 VanDerWaalsContact O-CB 3.31Å; F328-T331 WeakPolarHBondContact O-CB 3.42Å; F328-T331 PolarHBondContact O-N 3.13Å; F328-W332 PolarHBondContact O-N 2.98Å
329V38.8Very low49.9Very low12 Ų1276 Ų767%0.07337%0.367CS..Hα-helixtrans-69.6-33.5177.1173.40000111.1K310 K314 C325 N326 T331 W332 A333K310-V329 HydrophobicContact CB-CG2 3.85Å; K314-V329 HydrophobicContact CD-CB 4.37Å; K314-V329 HydrophobicContact CD-CG1 4.12Å; K314-V329 HydrophobicContact CD-CG2 4.46Å; K314-V329 HydrophobicContact CG-CG2 4.43Å; K314-V329 VanDerWaalsContact NZ-CG1 3.31Å; C325-V329 WeakPolarHBondContact O-CB 3.35Å; C325-V329 WeakPolarHBondContact O-CG2 3.36Å; C325-V329 PolarHBondContact O-N 3.23Å; N326-V329 PolarHBondContact O-N 3.32Å; V329-T331 PolarHBondContact O-N 3.37Å; V329-W332 PolarHBondContact O-N 2.88Å; V329-W332 VanDerWaalsContact O-N 3.08Å; V329-A333 HydrophobicContact CG1-CB 4.14Å; V329-A333 WeakPolarHBondContact O-CA 3.18Å; V329-A333 WeakPolarHBondContact O-CB 3.43Å; V329-A333 PolarHBondContact O-N 3.03Å
330D41.1Very low51.8Low84 Ų8474.5 Ų74.545%0.44935%0.35SS..Hα-helixtrans-65-30.1173.9-64.4-14.4000111.2K314 N326 F328 W332K314-D330 IonicContact NZ-OD1 2.81Å; K314-D330 PolarHBondContact NZ-OD1 3.16Å; N326-D330 WeakPolarHBondContact O-CB 3.41Å; N326-D330 PolarHBondContact O-N 3.09Å; F328-D330 VanDerWaalsContact C-N 3.32Å; D330-W332 VanDerWaalsContact C-N 3.34Å; D330-W332 PolarHBondContact O-N 3.35Å
331T38.3Very low53.9Low70 Ų7076.4 Ų76.443%0.42935%0.349SS..Hα-helixtrans-67-33.6173.6-52.30000112.1R327 F328 V329R327-T331 PolarHBondContact O-N 3.06Å; R327-T331 PolarHBondContact O-OG1 3.12Å; F328-T331 VanDerWaalsContact O-CB 3.31Å; F328-T331 WeakPolarHBondContact O-CB 3.42Å; F328-T331 PolarHBondContact O-N 3.13Å; V329-T331 PolarHBondContact O-N 3.37Å
332W46.3Very low56.4Low47 Ų4773 Ų7318%0.17834%0.34CS..Hα-helixtrans-101.8-28.2-174.4-72.572.7000113.9V307 F328 V329 D330 R334 V339 H342V307-W332 HydrophobicContact CG2-CE3 4.46Å; F328-W332 PolarHBondContact O-N 2.98Å; V329-W332 PolarHBondContact O-N 2.88Å; V329-W332 VanDerWaalsContact O-N 3.08Å; D330-W332 VanDerWaalsContact C-N 3.34Å; D330-W332 PolarHBondContact O-N 3.35Å; W332-R334 VanDerWaalsContact C-N 3.27Å; W332-R334 PolarHBondContact O-N 3.16Å; W332-V339 HydrophobicContact CE3-CB 4.22Å; W332-V339 HydrophobicContact CE3-CG1 4.31Å; W332-V339 HydrophobicContact CE3-CG2 3.55Å; W332-V339 HydrophobicContact CZ3-CB 4.09Å; W332-V339 HydrophobicContact CZ3-CG1 4.03Å; W332-V339 HydrophobicContact CZ3-CG2 3.94Å; W332-H342 HydrophobicContact CH2-CB 3.73Å; W332-H342 AromaticContact CH2-CD2 3.7Å; W332-H342 AromaticContact CH2-CE1 3.65Å; W332-H342 AromaticContact CH2-CG 3.33Å; W332-H342 AromaticContact CH2-ND1 3.3Å; W332-H342 VanDerWaalsContact CH2-ND1 3.3Å; W332-H342 WeakPolarHBondContact CH2-ND1 3.45Å; W332-H342 AromaticContact CH2-NE2 3.89Å; W332-H342 AromaticContact CZ2-CD2 3.93Å; W332-H342 AromaticContact CZ2-CE1 3.46Å; W332-H342 VanDerWaalsContact CZ2-CE1 3.46Å; W332-H342 WeakPolarHBondContact CZ2-CE1 3.43Å; W332-H342 AromaticContact CZ2-CG 3.92Å; W332-H342 AromaticContact CZ2-ND1 3.63Å; W332-H342 AromaticContact CZ2-NE2 3.65Å; W332-H342 HydrophobicContact CZ3-CB 4.35Å
333A48.1Very low58.9Low55 Ų5572 Ų7246%0.45533%0.331SS..Hα-helixtrans-77.4-14178.300000112.6V329V329-A333 HydrophobicContact CG1-CB 4.14Å; V329-A333 WeakPolarHBondContact O-CA 3.18Å; V329-A333 WeakPolarHBondContact O-CB 3.43Å; V329-A333 PolarHBondContact O-N 3.03Å
334R54Low61.5Low190 Ų19065.9 Ų65.972%0.71731%0.308SS*.SBendtrans-120.23.5-179-72-175.3176-123.73.8115.2R63 W332R63-R334 PolarHBondContact NH2-O 3.08Å; W332-R334 VanDerWaalsContact C-N 3.27Å; W332-R334 PolarHBondContact O-N 3.16Å
335D73.7Confident64.1Low37 Ų3763.1 Ų63.120%0.19831%0.305CS..  trans-14281.7177.5-159.954.9000112.6R63 D337 T338 V339R63-D335 IonicContact NH2-OD1 2.99Å; R63-D335 PolarHBondContact NH2-OD1 3.49Å; D335-D337 PolarHBondContact O-N 2.94Å; D335-D337 VanDerWaalsContact O-N 3.15Å; D335-T338 WeakPolarHBondContact O-CB 3.27Å; D335-T338 PolarHBondContact O-N 3.02Å; D335-T338 VanDerWaalsContact OD2-CB 3.25Å; D335-T338 WeakPolarHBondContact OD2-CB 3.16Å; D335-T338 PolarHBondContact OD2-N 2.75Å; D335-T338 PolarHBondContact OD2-OG1 2.9Å; D335-V339 PolarHBondContact O-N 2.91Å
336E81.1Confident66.8Low45 Ų4564.2 Ų64.221%0.2131%0.313CS..Hα-helixtrans-49.8-37.6172.8-58.1-178.4167.200111.6L281 R284 T338 V339 L340L281-E336 HydrophobicContact CB-CG 4.23Å; L281-E336 HydrophobicContact CD1-CB 4.39Å; L281-E336 PolarHBondContact N-OE1 3.41Å; L281-E336 VanDerWaalsContact N-OE1 3.13Å; R284-E336 VanDerWaalsContact CD-OE2 3.32Å; R284-E336 WeakPolarHBondContact CD-OE2 3.27Å; E336-T338 VanDerWaalsContact C-N 3.3Å; E336-T338 PolarHBondContact O-N 2.86Å; E336-V339 WeakPolarHBondContact O-CB 2.9Å; E336-V339 PolarHBondContact O-N 2.95Å; E336-V339 VanDerWaalsContact O-N 3.08Å; E336-L340 WeakPolarHBondContact O-CD2 3.36Å; E336-L340 PolarHBondContact O-N 3.02Å
337D85.6Confident69.4Low44 Ų4462 Ų6224%0.23530%0.3CS..Hα-helixtrans-59-38.1176.4-82.9-17000113.1R284 D335 L340 K341R284-D337 IonicContact CZ-OD1 2.73Å; R284-D337 IonicContact NH1-OD1 2.72Å; R284-D337 PolarHBondContact NH1-OD1 3.28Å; R284-D337 IonicContact NH2-OD1 3.54Å; R284-D337 PolarHBondContact NH2-OD1 3.14Å; R284-D337 VanDerWaalsContact NH2-OD1 3.16Å; D335-D337 PolarHBondContact O-N 2.94Å; D335-D337 VanDerWaalsContact O-N 3.15Å; D337-L340 PolarHBondContact O-N 3.03Å; D337-K341 WeakPolarHBondContact O-CB 3.41Å; D337-K341 WeakPolarHBondContact O-CG 3.36Å; D337-K341 PolarHBondContact O-N 2.82Å
338T85.4Confident72.2Confident30 Ų3058.4 Ų58.418%0.18429%0.29CS..Hα-helixtrans-67.3-39.5174.9-71.50000111.2D335 E336 K341 H342D335-T338 WeakPolarHBondContact O-CB 3.27Å; D335-T338 PolarHBondContact O-N 3.02Å; D335-T338 VanDerWaalsContact OD2-CB 3.25Å; D335-T338 WeakPolarHBondContact OD2-CB 3.16Å; D335-T338 PolarHBondContact OD2-N 2.75Å; D335-T338 PolarHBondContact OD2-OG1 2.9Å; E336-T338 VanDerWaalsContact C-N 3.3Å; E336-T338 PolarHBondContact O-N 2.86Å; T338-K341 PolarHBondContact O-N 3.26Å; T338-H342 PolarHBondContact O-N 3.49Å; T338-H342 PolarHBondContact O-ND1 3.13Å
339V85.8Confident74.7Confident0 Ų061 Ų610%030%0.301CS..Hα-helixtrans-60-48.6175.1-1720000110.6L281 I303 W332 D335 E336 K341 H342 L343L281-V339 HydrophobicContact CD1-CB 4.09Å; L281-V339 HydrophobicContact CD1-CG1 4.01Å; L281-V339 HydrophobicContact CD1-CG2 4.48Å; L281-V339 HydrophobicContact CD2-CB 4.48Å; L281-V339 HydrophobicContact CD2-CG1 4.14Å; L281-V339 HydrophobicContact CD2-CG2 4.18Å; I303-V339 HydrophobicContact CG2-CG1 3.43Å; I303-V339 VanDerWaalsContact CG2-CG1 3.43Å; W332-V339 HydrophobicContact CE3-CB 4.22Å; W332-V339 HydrophobicContact CE3-CG1 4.31Å; W332-V339 HydrophobicContact CE3-CG2 3.55Å; W332-V339 HydrophobicContact CZ3-CB 4.09Å; W332-V339 HydrophobicContact CZ3-CG1 4.03Å; W332-V339 HydrophobicContact CZ3-CG2 3.94Å; D335-V339 PolarHBondContact O-N 2.91Å; E336-V339 WeakPolarHBondContact O-CB 2.9Å; E336-V339 PolarHBondContact O-N 2.95Å; E336-V339 VanDerWaalsContact O-N 3.08Å; V339-K341 VanDerWaalsContact C-N 3.35Å; V339-K341 PolarHBondContact O-N 2.88Å; V339-H342 WeakPolarHBondContact O-CB 3.28Å; V339-H342 PolarHBondContact O-N 2.98Å; V339-H342 VanDerWaalsContact O-N 3.17Å; V339-L343 PolarHBondContact O-N 2.99Å
340L90.1Very high76.7Confident3 Ų364.2 Ų64.22%0.01632%0.318CS..Hα-helixtrans-68.2-32.2-179.2-84.8-60.4000112.4Y99 L281 R284 L285 V288 E336 D337 L343 R344Y99-L340 HydrophobicContact CD1-CD1 4.31Å; L281-L340 HydrophobicContact CD1-CD2 3.53Å; R284-L340 HydrophobicContact CB-CD2 4.09Å; L285-L340 HydrophobicContact CD2-CD1 4.15Å; L285-L340 HydrophobicContact CD2-CD2 4.4Å; V288-L340 HydrophobicContact CG2-CD1 3.74Å; E336-L340 WeakPolarHBondContact O-CD2 3.36Å; E336-L340 PolarHBondContact O-N 3.02Å; D337-L340 PolarHBondContact O-N 3.03Å; L340-L343 HydrophobicContact CD1-CD2 3.9Å; L340-L343 PolarHBondContact O-N 3.43Å; L340-R344 WeakPolarHBondContact O-CB 3.05Å; L340-R344 PolarHBondContact O-N 3.42Å
341K90.6Very high78.5Confident137 Ų13764.9 Ų64.960%0.59633%0.325SS*.Hα-helixtrans-62.9-43.7170.2-76.6168.2-170.7166.90111.9D337 T338 V339 R344 A345D337-K341 WeakPolarHBondContact O-CB 3.41Å; D337-K341 WeakPolarHBondContact O-CG 3.36Å; D337-K341 PolarHBondContact O-N 2.82Å; T338-K341 PolarHBondContact O-N 3.26Å; V339-K341 VanDerWaalsContact C-N 3.35Å; V339-K341 PolarHBondContact O-N 2.88Å; K341-R344 PolarHBondContact O-N 3.03Å; K341-A345 WeakPolarHBondContact O-CB 3.46Å; K341-A345 PolarHBondContact O-N 2.81Å
342H88.6Confident80.3Confident94 Ų9470.6 Ų70.644%0.43534%0.339SS..Hα-helixtrans-65.7-40.5176.3-76.388000111.8W332 T338 V339 A345 S346W332-H342 HydrophobicContact CH2-CB 3.73Å; W332-H342 AromaticContact CH2-CD2 3.7Å; W332-H342 AromaticContact CH2-CE1 3.65Å; W332-H342 AromaticContact CH2-CG 3.33Å; W332-H342 AromaticContact CH2-ND1 3.3Å; W332-H342 VanDerWaalsContact CH2-ND1 3.3Å; W332-H342 WeakPolarHBondContact CH2-ND1 3.45Å; W332-H342 AromaticContact CH2-NE2 3.89Å; W332-H342 AromaticContact CZ2-CD2 3.93Å; W332-H342 AromaticContact CZ2-CE1 3.46Å; W332-H342 VanDerWaalsContact CZ2-CE1 3.46Å; W332-H342 WeakPolarHBondContact CZ2-CE1 3.43Å; W332-H342 AromaticContact CZ2-CG 3.92Å; W332-H342 AromaticContact CZ2-ND1 3.63Å; W332-H342 AromaticContact CZ2-NE2 3.65Å; W332-H342 HydrophobicContact CZ3-CB 4.35Å; T338-H342 PolarHBondContact O-N 3.49Å; T338-H342 PolarHBondContact O-ND1 3.13Å; V339-H342 WeakPolarHBondContact O-CB 3.28Å; V339-H342 PolarHBondContact O-N 2.98Å; V339-H342 VanDerWaalsContact O-N 3.17Å; H342-A345 PolarHBondContact O-N 3.02Å; H342-S346 WeakPolarHBondContact O-CB 3.39Å; H342-S346 PolarHBondContact O-N 3.23Å
343L89.8Confident81.5Confident0 Ų075.5 Ų75.50%036%0.362CS..Hα-helixtrans-57.3-50.7172.4-179.862.8000110.7Y99 L285 V288 P299 I300 I303 V339 L340 A345 S346 M347Y99-L343 HydrophobicContact CE1-CB 4.4Å; Y99-L343 HydrophobicContact CE1-CD2 4.08Å; Y99-L343 HydrophobicContact CE1-CG 4.03Å; L285-L343 HydrophobicContact CD2-CD2 3.81Å; V288-L343 HydrophobicContact CB-CD2 4.39Å; V288-L343 HydrophobicContact CG1-CD2 3.93Å; P299-L343 HydrophobicContact CB-CD1 3.61Å; I300-L343 HydrophobicContact CD1-CD2 4.47Å; I300-L343 HydrophobicContact CG1-CD1 3.8Å; I300-L343 HydrophobicContact CG1-CD2 3.79Å; I300-L343 HydrophobicContact CG1-CG 4.47Å; I303-L343 HydrophobicContact CD1-CB 3.49Å; I303-L343 VanDerWaalsContact CD1-CB 3.49Å; I303-L343 HydrophobicContact CD1-CD1 3.72Å; I303-L343 HydrophobicContact CD1-CG 4.18Å; V339-L343 PolarHBondContact O-N 2.99Å; L340-L343 HydrophobicContact CD1-CD2 3.9Å; L340-L343 PolarHBondContact O-N 3.43Å; L343-A345 VanDerWaalsContact C-N 3.29Å; L343-A345 PolarHBondContact O-N 3.25Å; L343-S346 WeakPolarHBondContact O-CA 3.34Å; L343-S346 WeakPolarHBondContact O-CB 3.36Å; L343-S346 PolarHBondContact O-N 3.39Å; L343-M347 HydrophobicContact CD1-CG 4.33Å; L343-M347 HydrophobicContact CG-CG 4.48Å; L343-M347 WeakPolarHBondContact O-CG 3.44Å; L343-M347 PolarHBondContact O-N 3.3Å
344R91.6Very high82.1Confident62 Ų6280 Ų8023%0.23437%0.371CS..Hα-helixtrans-59.6-39.5178.8-164.7170.4-178.7-171.4-7.6112.7D96 Y99 L340 K341 M347 K348D96-R344 IonicContact OD1-CZ 3.46Å; D96-R344 IonicContact OD1-NH2 3.92Å; D96-R344 PolarHBondContact OD1-NH2 2.64Å; D96-R344 IonicContact OD2-CZ 2.77Å; D96-R344 IonicContact OD2-NH2 2.59Å; D96-R344 PolarHBondContact OD2-NH2 3Å; Y99-R344 HydrophobicContact CD1-CB 3.63Å; Y99-R344 HydrophobicContact CD1-CG 4.03Å; Y99-R344 HydrophobicContact CD2-CG 4.22Å; Y99-R344 HydrophobicContact CE1-CB 3.61Å; Y99-R344 HydrophobicContact CE1-CG 4.03Å; Y99-R344 HydrophobicContact CE2-CG 4.25Å; Y99-R344 HydrophobicContact CG-CB 4.21Å; Y99-R344 HydrophobicContact CG-CG 4.13Å; L340-R344 WeakPolarHBondContact O-CB 3.05Å; L340-R344 PolarHBondContact O-N 3.42Å; K341-R344 PolarHBondContact O-N 3.03Å; R344-M347 PolarHBondContact O-N 2.97Å; R344-K348 WeakPolarHBondContact O-CG 3.5Å; R344-K348 PolarHBondContact O-N 3.26Å
345A90.4Very high82.2Confident48 Ų4873.9 Ų73.940%0.39737%0.367SS..Hα-helixtrans-66.2-39.6175.300000111.9K341 H342 L343 K349K341-A345 WeakPolarHBondContact O-CB 3.46Å; K341-A345 PolarHBondContact O-N 2.81Å; H342-A345 PolarHBondContact O-N 3.02Å; L343-A345 VanDerWaalsContact C-N 3.29Å; L343-A345 PolarHBondContact O-N 3.25Å; A345-K349 WeakPolarHBondContact O-CG 3.47Å; A345-K349 PolarHBondContact O-N 3.3Å; A345-K349 VanDerWaalsContact O-N 3.15Å
346S87.8Confident81.3Confident43 Ų4378.4 Ų78.430%0.30139%0.391SS..Hα-helixtrans-63.9-43.9175.1-167.10000111.7H342 L343 K349 L350H342-S346 WeakPolarHBondContact O-CB 3.39Å; H342-S346 PolarHBondContact O-N 3.23Å; L343-S346 WeakPolarHBondContact O-CA 3.34Å; L343-S346 WeakPolarHBondContact O-CB 3.36Å; L343-S346 PolarHBondContact O-N 3.39Å; S346-K349 WeakPolarHBondContact O-CB 3.25Å; S346-K349 PolarHBondContact O-N 3.21Å; S346-L350 PolarHBondContact O-N 3.33Å; S346-L350 VanDerWaalsContact O-N 3.07Å
347M89.1Confident79.4Confident12 Ų1282.2 Ų82.26%0.05941%0.412CS..Hα-helixtrans-61.1-47.4177.1-72.9-68.8-73.300111.4Y99 E292 Q295 A296 P299 L343 R344 K349 L350 T351Y99-M347 WeakPolarHBondContact OH-CG 3.45Å; E292-M347 HydrophobicContact CB-CE 4.13Å; E292-M347 HydrophobicContact CG-CE 4.22Å; Q295-M347 HydrophobicContact CB-CE 4.35Å; A296-M347 HydrophobicContact CB-CE 3.93Å; A296-M347 HydrophobicContact CB-SD 4.21Å; P299-M347 HydrophobicContact CB-CG 4.47Å; P299-M347 HydrophobicContact CB-SD 4.05Å; P299-M347 HydrophobicContact CG-SD 3.67Å; L343-M347 HydrophobicContact CD1-CG 4.33Å; L343-M347 HydrophobicContact CG-CG 4.48Å; L343-M347 WeakPolarHBondContact O-CG 3.44Å; L343-M347 PolarHBondContact O-N 3.3Å; R344-M347 PolarHBondContact O-N 2.97Å; M347-K349 VanDerWaalsContact C-N 3.27Å; M347-K349 PolarHBondContact O-N 3.26Å; M347-L350 WeakPolarHBondContact O-CB 3.13Å; M347-L350 PolarHBondContact O-N 3.31Å; M347-T351 PolarHBondContact O-N 3.36Å; M347-T351 PolarHBondContact O-OG1 2.97Å; M347-T351 VanDerWaalsContact O-OG1 3.07Å
348K87.9Confident77.2Confident120 Ų12085.1 Ų85.152%0.52243%0.433SS..Hα-helixtrans-58-36.7175-74.5179.3178.7-1740113.2R344 R352R344-K348 WeakPolarHBondContact O-CG 3.5Å; R344-K348 PolarHBondContact O-N 3.26Å; K348-R352 WeakPolarHBondContact O-CG 3.49Å; K348-R352 PolarHBondContact O-N 3.23Å
349K85.9Confident75Confident147 Ų14789.2 Ų89.264%0.63946%0.461SS*.Hα-helixtrans-67.2-38.4175.7-72.9176.9-178.8-173.70111.7A345 S346 M347 R352 K353A345-K349 WeakPolarHBondContact O-CG 3.47Å; A345-K349 PolarHBondContact O-N 3.3Å; A345-K349 VanDerWaalsContact O-N 3.15Å; S346-K349 WeakPolarHBondContact O-CB 3.25Å; S346-K349 PolarHBondContact O-N 3.21Å; M347-K349 VanDerWaalsContact C-N 3.27Å; M347-K349 PolarHBondContact O-N 3.26Å; K349-R352 PolarHBondContact O-N 2.78Å; K349-K353 PolarHBondContact O-N 2.87Å
350L79.6Confident72.9Confident81 Ų8195.1 Ų95.142%0.42450%0.499SS..Hα-helixtrans-66.6-44177.5-172.166000111.4P299 S346 M347 R352 K353 K354P299-L350 HydrophobicContact CG-CD2 4.39Å; S346-L350 PolarHBondContact O-N 3.33Å; S346-L350 VanDerWaalsContact O-N 3.07Å; M347-L350 WeakPolarHBondContact O-CB 3.13Å; M347-L350 PolarHBondContact O-N 3.31Å; L350-R352 VanDerWaalsContact C-N 3.3Å; L350-R352 PolarHBondContact O-N 2.86Å; L350-K353 PolarHBondContact O-N 3.06Å; L350-K354 PolarHBondContact O-N 3.27Å
351T79.2Confident70.1Confident98 Ų9899.6 Ų99.660%0.60154%0.536SS*.Hα-helixtrans-60.7-38.5177.1-450000112.1M347 K354 G355M347-T351 PolarHBondContact O-N 3.36Å; M347-T351 PolarHBondContact O-OG1 2.97Å; M347-T351 VanDerWaalsContact O-OG1 3.07Å; T351-K354 PolarHBondContact O-N 3.33Å; T351-G355 PolarHBondContact O-N 3.27Å
352R76.6Confident67.5Low189 Ų189102 Ų10271%0.71355%0.547SS*.Hα-helixtrans-62.5-51.2175.1-73.8177.8179.5-170.8-2.7111.6K348 K349 L350 K354 G355 D356K348-R352 WeakPolarHBondContact O-CG 3.49Å; K348-R352 PolarHBondContact O-N 3.23Å; K349-R352 PolarHBondContact O-N 2.78Å; L350-R352 VanDerWaalsContact C-N 3.3Å; L350-R352 PolarHBondContact O-N 2.86Å; R352-K354 PolarHBondContact O-N 3.43Å; R352-G355 WeakPolarHBondContact O-CA 3.39Å; R352-G355 PolarHBondContact O-N 3.09Å; R352-D356 PolarHBondContact O-N 3.01Å
353K70.6Confident65.1Low151 Ų151103.4 Ų103.466%0.65756%0.564SS**Hα-helixtrans-58.7-33.5178.8-72.3-172.3174.3-163.20113.6K349 L350 G355 D356K349-K353 PolarHBondContact O-N 2.87Å; L350-K353 PolarHBondContact O-N 3.06Å; K353-G355 VanDerWaalsContact C-N 3.34Å; K353-D356 PolarHBondContact O-N 2.71Å
354K60.8Low62.4Low148 Ų148112.3 Ų112.364%0.64361%0.606SS**Hα-helixtrans-72.8-27.1176.5-162.2171.6-177.4178.20112.6L350 T351 R352L350-K354 PolarHBondContact O-N 3.27Å; T351-K354 PolarHBondContact O-N 3.33Å; R352-K354 PolarHBondContact O-N 3.43Å
355G55.7Low59.6Low62 Ų62118.7 Ų118.764%0.63964%0.638SS**Hα-helixtrans-78.1-20.3174.200000114.3T351 R352 K353T351-G355 PolarHBondContact O-N 3.27Å; R352-G355 WeakPolarHBondContact O-CA 3.39Å; R352-G355 PolarHBondContact O-N 3.09Å; K353-G355 VanDerWaalsContact C-N 3.34Å
356D55.7Low56.9Low133 Ų133119.9 Ų119.971%0.71166%0.655SS**SBendtrans-87.8-2.6179.7-60.5-36.3000113.3R352 K353R352-D356 PolarHBondContact O-N 3.01Å; K353-D356 PolarHBondContact O-N 2.71Å
357L40.6Very low54.5Low124 Ų124123.1 Ų123.165%0.64968%0.677SS**SBendtrans-80.9131176.7-81.5159000110.5
358P39.1Very low51.8Low105 Ų105128 Ų12868%0.68271%0.713SS**PPolyproline II helixtrans-60.6146.4173.425.4-32.2000110.2
359P40Very low49.3Very low117 Ų117126.8 Ų126.876%0.7673%0.725SS**PPolyproline II helixtrans-56.4142.5175.823.7-32.2000109.9A361P359-A361 PolarHBondContact O-N 2.81Å
360P40.7Very low46.8Very low124 Ų124125.9 Ų125.981%0.80574%0.738SS**PPolyproline II helixtrans-56.1134177.523.1-31.7000109.3K362P360-K362 PolarHBondContact O-N 3.48Å
361A32.7Very low44.7Very low96 Ų96133.2 Ų133.279%0.79376%0.76SS**PPolyproline II helixtrans-50.5128.9178.200000109.3P359P359-A361 PolarHBondContact O-N 2.81Å
362K35.9Very low42.6Very low189 Ų189134.3 Ų134.382%0.82277%0.768SS**PPolyproline II helixtrans-54.4136.7172.4-70.4179.9178.8178.30107.4P360 E364P360-K362 PolarHBondContact O-N 3.48Å; K362-E364 PolarHBondContact O-N 3.49Å
363P36.6Very low40.8Very low123 Ų123131.7 Ų131.780%0.79977%0.773SS**PPolyproline II helixtrans-57.3117.2170.822.9-29.2000107.3Q365P363-Q365 PolarHBondContact O-N 2.67Å
364E33.5Very low39.3Very low186 Ų186130.3 Ų130.387%0.86978%0.779SS**PPolyproline II helixtrans-53.5127.4173.4-73.4-168.7145.900107.9K362 G366K362-E364 PolarHBondContact O-N 3.49Å; E364-G366 PolarHBondContact O-N 3.26Å
365Q33Very low37.9Very low197 Ų197128.4 Ų128.492%0.92179%0.791SS**  trans-65.586.3164.6-77.3-173.1-19.800107P363 S367P363-Q365 PolarHBondContact O-N 2.67Å; Q365-S367 PolarHBondContact O-N 2.93Å
366G33.6Very low37Very low72 Ų72131.5 Ų131.574%0.74280%0.804SS**  trans-63.698.6170.400000108.6E364E364-G366 PolarHBondContact O-N 3.26Å
367S36.8Very low36.2Very low111 Ų111137.1 Ų137.178%0.77682%0.815SS**  trans-49.3134.7170.8-177.60000110.6Q365 A369Q365-S367 PolarHBondContact O-N 2.93Å; S367-A369 PolarHBondContact O-N 2.86Å
368S33.3Very low36Very low115 Ų115135.2 Ų135.280%0.80483%0.825SS**  trans-56.3114.717550.70000111.9
369A35.4Very low35.8Very low95 Ų95134 Ų13479%0.78583%0.832SS**  trans-15498.1153.200000109.1S367 R371S367-A369 PolarHBondContact O-N 2.86Å; A369-R371 PolarHBondContact O-N 3.24Å
370S32.9Very low35.6Very low128 Ų128138.3 Ų138.390%0.89584%0.839SS**  trans-65.8124.7168.6380000109.8
371R35.3Very low35.4Very low234 Ų234139.7 Ų139.788%0.88385%0.845SS**  trans-119.9121.3165.1-163.4175.8-173.3-174.61.9108.5A369A369-R371 PolarHBondContact O-N 3.24Å
372P36.6Very low35.4Very low121 Ų121142.3 Ų142.379%0.78685%0.845SS**  trans-83.4141-178.231.6-30.6000110.9
373V38.6Very low35.3Very low134 Ų134139.8 Ų139.881%0.81285%0.85SS**  trans-128.3138.4167.6177.90000108.5
374P37.6Very low35.2Very low122 Ų122142.7 Ų142.779%0.79285%0.85SS**  trans-88.6158.3-155.2-4.224.5000114.6
375A32Very low35.3Very low108 Ų108137.5 Ų137.589%0.89385%0.847SS**  trans-66.6145.2178.100000114.2
376S37.5Very low35.2Very low128 Ų128134.6 Ų134.690%0.89584%0.837SS**  trans-126.8142.6159.2-168.20000110.8
377R38.2Very low35.2Very low250 Ų250143.2 Ų143.294%0.94385%0.847SS**  trans-86.1155.5-167.3-74.6174.6168-170.5-2.6113.2
378G35.8Very low35Very low85 Ų85147.4 Ų147.488%0.87686%0.855SS**  trans123.9133154.300000112.2
379G36Very low35.1Very low80 Ų80146 Ų14683%0.82585%0.85SS**  cis-165.8162.94.400000108.3
380K34.9Very low35.2Very low207 Ų207147.3 Ų147.390%0.985%0.851SS**  trans-79142.7-166.8-55.7161.9178.7178.10112.3
381T36.7Very low35.2Very low153 Ų153147.4 Ų147.494%0.93985%0.848SS**  trans-157139.2130.9-22.20000111.9
382L32.7Very low35Very low151 Ų151139.3 Ų139.379%0.79184%0.838SS**  trans-101.8140.6-170.2177.884.3000109.2
383C35.1Very low34.9Very low136 Ų136139.5 Ų139.592%0.91984%0.839SS**  trans-158.9117.5145.7-100.60000110.5
384K34Very low34.5Very low183 Ų183138.4 Ų138.480%0.79683%0.834SS**  trans-73.2150.6172.1-96.5-174.9167.1-166.60110.9
385G34.5Very low34.2Very low78 Ų78136.6 Ų136.680%0.80483%0.83SS**  trans-165.392.7163.200000110.2
386D31.8Very low34Very low136 Ų136142.4 Ų142.473%0.72783%0.829SS**  trans-66.4131.3178.4-69.8-54.6000112.1
387R34.4Very low33.6Very low252 Ų252144.6 Ų144.695%0.95182%0.823SS**  trans-150.3112.3138.4-84.6-153.3175.2173.9-1.1110.2
388Q31.8Very low33.2Very low199 Ų199138.3 Ų138.393%0.9381%0.814SS**  trans-80.8128176.5-142.3160.3-8.100108.9
389A34.8Very low32.7Very low87 Ų87144.1 Ų144.172%0.71981%0.81SS**  trans-122.1144.1165.200000108.4
390P37Very low32.3Very low121 Ų121145.1 Ų145.179%0.78680%0.802SS**PPolyproline II helixtrans-74.8154.1-165.731.3-33.9000112.3G392P390-G392 PolarHBondContact O-N 2.97Å
391P34.8Very low31.9Very low131 Ų131141.8 Ų141.885%0.85179%0.792SS**PPolyproline II helixtrans-77.6118.6-17631-30.7000110.8
392G29.9Very low31.4Very low64 Ų64144.8 Ų144.866%0.6679%0.787SS**PPolyproline II helixtrans-70.1151.7165.900000111.7P390P390-G392 PolarHBondContact O-N 2.97Å
393P34.5Very low31Very low124 Ų124142 Ų14281%0.80578%0.779SS**PPolyproline II helixtrans-69.7147.2-169.129-33.4000112A395P393-A395 PolarHBondContact O-N 3.08Å
394P30.5Very low30.7Very low111 Ų111140.3 Ų140.372%0.72178%0.775SS**  trans-78.4109.5-175.531.7-31.3000110.1R396P394-R396 PolarHBondContact O-N 3.45Å
395A30.4Very low30.3Very low85 Ų85137 Ų13770%0.70278%0.776SS**  trans-7273.9164.200000110P393 F397P393-A395 PolarHBondContact O-N 3.08Å; A395-F397 HydrophobicContact CB-CE2 4.32Å; A395-F397 PolarHBondContact O-N 3.03Å
396R29.6Very low30.1Very low229 Ų229139.1 Ų139.186%0.86478%0.775SS**  trans-76.797.2165-82-174.1177.5-170.30.4108.4P394 P398P394-R396 PolarHBondContact O-N 3.45Å; R396-P398 WeakPolarHBondContact O-CD 3.24Å
397F29.2Very low30Very low175 Ų175138.7 Ų138.777%0.76878%0.779SS**PPolyproline II helixtrans-75122.1163.5-75.1-80000109.6A395 R399A395-F397 HydrophobicContact CB-CE2 4.32Å; A395-F397 PolarHBondContact O-N 3.03Å; F397-R399 PolarHBondContact O-N 3.35Å
398P28.6Very low29.6Very low118 Ų118138.7 Ų138.777%0.76678%0.779SS**PPolyproline II helixtrans-77.2122.1173.325.7-21.4000109.4R396R396-P398 WeakPolarHBondContact O-CD 3.24Å
399R25.7Very low29.4Very low207 Ų207133.8 Ų133.878%0.78177%0.773SS**PPolyproline II helixtrans-61.8128.3170-68.6-175.2177.8-158.9-1.3110.1F397 I401F397-R399 PolarHBondContact O-N 3.35Å; R399-I401 PolarHBondContact O-N 3.04Å
400P27.6Very low29Very low101 Ų101134.7 Ų134.766%0.65677%0.772SS**  trans-81.9105.3165-0.318.5000109W402P400-W402 PolarHBondContact O-N 3.11Å
401I25.7Very low28.6Very low137 Ų137140.3 Ų140.370%0.70378%0.777SS**  trans-68.1110.4167.7-62.4171000107.8R399 S403R399-I401 PolarHBondContact O-N 3.04Å; I401-S403 VanDerWaalsContact CG2-OG 3.27Å; I401-S403 WeakPolarHBondContact CG2-OG 3.16Å; I401-S403 PolarHBondContact O-N 2.92Å
402W26.3Very low28.4Very low216 Ų216139.1 Ų139.182%0.81877%0.772SS**  trans-87.885.9165.9-77.941.5000108.6P400P400-W402 PolarHBondContact O-N 3.11Å
403S24.8Very low28.2Very low92 Ų92141 Ų14164%0.64378%0.775SS**  trans-136.1111.3166.763.80000109.8I401I401-S403 VanDerWaalsContact CG2-OG 3.27Å; I401-S403 WeakPolarHBondContact CG2-OG 3.16Å; I401-S403 PolarHBondContact O-N 2.92Å
404A28.1Very low27.9Very low100 Ų100141.2 Ų141.283%0.82677%0.774SS**  trans149.1109145.400000109.6
405S27Very low27.9Very low115 Ų115141 Ų14180%0.80477%0.773SS**PPolyproline II helixtrans-63.6141.1163.5-52.10000109.6
406P30.8Very low27.9Very low121 Ų121143.3 Ų143.379%0.78678%0.782SS**PPolyproline II helixtrans-71.1145.9172.1-5.821.6000110.2
407P28.8Very low28.1Very low127 Ų127138.6 Ų138.683%0.82578%0.781SS**PPolyproline II helixtrans-71.8140.8178.229.8-31.8000111.2
408R26.1Very low28.1Very low252 Ų252133.9 Ų133.995%0.95178%0.782SS**PPolyproline II helixtrans-64.7128173.8-105.6-178.1-94.7-143.6-4.9110.7
409A27.5Very low28Very low96 Ų96132.2 Ų132.279%0.79379%0.786SS**PPolyproline II helixtrans-102.8139.516000000110.1
410P26.7Very low28.2Very low107 Ų107127.3 Ų127.370%0.69579%0.79SS**  trans-104.5167.9-17040.1-33.8000114.1
411R28.7Very low28.1Very low238 Ų238128.7 Ų128.790%0.89880%0.797SS**  trans84.8140163.1-54.5177.6-178.2-130.90.2114.7
412S29.8Very low28.2Very low106 Ų106132.6 Ų132.674%0.74180%0.802SS**  cis-163.6154.66.932.30000109.7
413S27Very low28.1Very low103 Ų103130.3 Ų130.372%0.7280%0.801SS**  trans-30.7148.3162.643.30000115.1
414T28.3Very low28.2Very low129 Ų129132.1 Ų132.179%0.79180%0.803SS**  -167.8144.472.2-46.60000110.7
415P30.2Very low28.1Very low108 Ų108132.8 Ų132.870%0.70180%0.797SS**  trans-96.1161-179.337-32000112.6
416C29.7Very low28.1Very low132 Ų132137.3 Ų137.389%0.89280%0.798SS**  trans-173.7161.3146.7-100.40000113.1
417P32.9Very low28Very low130 Ų130137.3 Ų137.384%0.84480%0.798SS**  trans-126177.8-140.741.7-26.2000115.2
418G30.2Very low27.9Very low76 Ų76138.5 Ų138.578%0.78480%0.803SS**  trans149114.3167.100000110
419G26.8Very low27.9Very low83 Ų83129.4 Ų129.486%0.85679%0.788SS**  80.6125.882.300000108.6
420A29.4Very low27.8Very low105 Ų105131.2 Ų131.287%0.86879%0.789SS**  cis-161.8169.521.200000110.1
421V26Very low27.8Very low130 Ų130135.5 Ų135.579%0.78880%0.799SS**  trans-61.3145.2177.7172.70000113.3
422R27.5Very low27.7Very low219 Ų219127.4 Ų127.483%0.82679%0.79SS**  trans-153.4118.5139.2-125.1-173.8-179.8-161.3-0.7112.3
423E23.5Very low27.4Very low167 Ų167129.2 Ų129.278%0.7880%0.796SS**  trans-70.7140.2157.4-82.1170.1134.700109.1
424D28.4Very low27.4Very low130 Ų130129.7 Ų129.770%0.69580%0.797SS**  trans-135.5117.2154.2-85.2-40.6000108.9
425T24.6Very low27.2Very low115 Ų115128.7 Ų128.771%0.70680%0.795SS**  trans-91.7132.5167.6-68.60000107.7
426Y27.3Very low27.3Very low210 Ų210129.6 Ų129.682%0.82480%0.801SS**  trans-169.3163.5158.1-84.4-47.2000111.6
427P27.6Very low27.1Very low120 Ų120127.8 Ų127.878%0.77980%0.796SS**  -122.3-178.8-101.626.5-1.1000114.2
428V27.1Very low26.8Very low153 Ų153128.3 Ų128.393%0.92779%0.791SS**  trans-71133.1174.4171.30000111.4
429G27Very low26.7Very low61 Ų61129.6 Ų129.663%0.62979%0.794SS**  trans169.698.2169.100000115.5
430T25.9Very low26.8Very low134 Ų134133.9 Ų133.982%0.82279%0.792SS**  trans34.9125.4143.4-10.60000122.8
431Q26.4Very low26.9Very low196 Ų196132.8 Ų132.892%0.91679%0.79SS**  trans66.7114.8153.5-81.8-176.815.600120.2
432G25.4Very low27.5Very low68 Ų68129.3 Ų129.370%0.70178%0.781SS**  trans156.298.5164.500000110.5P434G432-P434 VanDerWaalsContact O-CD 3.22Å; G432-P434 WeakPolarHBondContact O-CD 3.36Å
433V25.1Very low28Very low144 Ų144123.6 Ų123.687%0.87377%0.773SS**PPolyproline II helixtrans-66.6118.9174.1176.90000108.6
434P26.8Very low28.5Very low113 Ų113123.8 Ų123.873%0.73477%0.773SS**PPolyproline II helixtrans-96.2116.4166.716.53.4000108.7G432G432-P434 VanDerWaalsContact O-CD 3.22Å; G432-P434 WeakPolarHBondContact O-CD 3.36Å
435S23Very low29.2Very low108 Ų108117.9 Ų117.976%0.75574%0.743SS**PPolyproline II helixtrans-50.6130.7162.1-60.70000109.7A437S435-A437 PolarHBondContact O-N 3.38Å; S435-A437 VanDerWaalsContact O-N 3.09Å
436P32.9Very low29.9Very low127 Ų127114.3 Ų114.383%0.82572%0.722SS**  trans-75.7105.8176.185.1000109
437A24.9Very low30.7Very low94 Ų94109.4 Ų109.478%0.77770%0.703SS**  trans-58.5135.3165.900000110.2S435 A439S435-A437 PolarHBondContact O-N 3.38Å; S435-A437 VanDerWaalsContact O-N 3.09Å; A437-A439 PolarHBondContact O-N 2.87Å
438L27.1Very low31.2Very low142 Ų142109 Ų10974%0.74369%0.685SS**  trans-60116176.8-87.199.2000111.1
439A27.6Very low31.8Very low103 Ų103107.4 Ų107.485%0.85167%0.666SS**  trans-88.5112159.900000109A437A437-A439 PolarHBondContact O-N 2.87Å
440Q29.5Very low32Very low172 Ų172106 Ų10680%0.80464%0.644SS**  trans-77.3144.8177.6-66.3-166.2-18.800112
441G31Very low32.4Very low82 Ų82104.6 Ų104.685%0.84563%0.628SS**  trans10848.8152.900000119.7
442G38.1Very low32.9Very low57 Ų57102.3 Ų102.359%0.58861%0.612SS**PPolyproline II helixtrans-95.114816800000113.3
443P38.1Very low33.4Very low100 Ų100105.6 Ų105.665%0.64961%0.613SS**PPolyproline II helixtrans-61141.9176.5-15.827.5000112G445 S446P443-G445 PolarHBondContact O-N 3.38Å; P443-S446 VanDerWaalsContact O-CB 3.31Å; P443-S446 WeakPolarHBondContact O-CB 3.3Å; P443-S446 PolarHBondContact O-N 3.23Å; P443-S446 PolarHBondContact O-OG 2.88Å
444Q35.9Very low33.8Very low171 Ų171102.5 Ų102.580%0.79960%0.598SS**THydrogen-bonded Turntrans-57.2126174.7-157.3177.323.400109.8
445G41.6Very low34Very low5 Ų5100.1 Ų100.15%0.05258%0.578CS.*THydrogen-bonded Turntrans94.2-7.2-174.400000115.4P443P443-G445 PolarHBondContact O-N 3.38Å
446S39Very low34.3Very low40 Ų40100.6 Ų100.628%0.2858%0.578SS.*PPolyproline II helixtrans-66.1140.9177.869.70000112.6P443 A482P443-S446 VanDerWaalsContact O-CB 3.31Å; P443-S446 WeakPolarHBondContact O-CB 3.3Å; P443-S446 PolarHBondContact O-N 3.23Å; P443-S446 PolarHBondContact O-OG 2.88Å; S446-A482 WeakPolarHBondContact O-CB 3.27Å; S446-A482 PolarHBondContact O-N 3.23Å
447W45.1Very low34.1Very low107 Ų107106.6 Ų106.641%0.40558%0.584SS.*EExtended strand (participates in β ladder)trans-85.3129.4172.1-65.585.4000108.6W479W447-W479 HydrophobicContact CB-CD2 4.33Å; W447-W479 HydrophobicContact CB-CE3 3.48Å; W447-W479 VanDerWaalsContact CB-CE3 3.48Å; W447-W479 HydrophobicContact CB-CZ3 3.94Å; W447-W479 HydrophobicContact CE3-CB 3.72Å; W447-W479 HydrophobicContact CZ3-CB 4.29Å; W447-W479 WeakPolarHBondContact O-CZ3 3.42Å
448R37.3Very low34.4Very low111 Ų111107.8 Ų107.842%0.41958%0.577SS.*EExtended strand (participates in β ladder)trans-103.9134.917057.2176.5-171.9-135.33109.8L450 W479 V480R448-L450 HydrophobicContact CG-CD1 4.45Å; R448-L450 HydrophobicContact CG-CG 4.34Å; R448-L450 PolarHBondContact O-N 3.41Å; R448-W479 WeakPolarHBondContact O-CA 3.01Å; R448-V480 HydrophobicContact CG-CB 4.27Å; R448-V480 WeakPolarHBondContact CG-O 3.41Å; R448-V480 PolarHBondContact N-O 3.02Å; R448-V480 PolarHBondContact O-N 3.01Å
449F39.7Very low34.5Very low120 Ų120105.4 Ų105.453%0.52657%0.57SS.*EExtended strand (participates in β ladder)trans-79.3108.7171.1-175.8-96.7000107.9S477 W479F449-S477 VanDerWaalsContact CE2-OG 3.24Å; F449-S477 WeakPolarHBondContact CE2-OG 3.24Å; F449-S477 WeakPolarHBondContact CZ-OG 3.47Å; F449-W479 HydrophobicContact CB-CE3 4.18Å; F449-W479 HydrophobicContact CB-CH2 4.3Å; F449-W479 HydrophobicContact CB-CZ3 4.1Å; F449-W479 HydrophobicContact CD2-CD2 4.44Å; F449-W479 HydrophobicContact CD2-CZ2 4.28Å
450L31.9Very low34.6Very low32 Ų32107 Ų10717%0.16857%0.569CS.*EExtended strand (participates in β ladder)trans-102.1120.1177.3-87.8171.6000109.7R448 M455 S477 C478 V480R448-L450 HydrophobicContact CG-CD1 4.45Å; R448-L450 HydrophobicContact CG-CG 4.34Å; R448-L450 PolarHBondContact O-N 3.41Å; L450-M455 HydrophobicContact CD1-CG 4.37Å; L450-S477 CarbonylContact O-C 3.53Å; L450-S477 WeakPolarHBondContact O-CA 3.48Å; L450-C478 PolarHBondContact N-O 2.94Å; L450-C478 PolarHBondContact O-N 3.24Å; L450-V480 HydrophobicContact CB-CG2 4.18Å; L450-V480 HydrophobicContact CD1-CB 3.79Å; L450-V480 HydrophobicContact CD1-CG1 4.25Å; L450-V480 HydrophobicContact CD1-CG2 3.61Å; L450-V480 HydrophobicContact CG-CG2 4.37Å
451Q35.2Very low34.8Very low104 Ų104106 Ų10649%0.48657%0.569SS.*  trans-73.3137.6167.5-171.6165.83.900109N453 S454 Q476Q451-N453 PolarHBondContact O-N 2.97Å; Q451-S454 PolarHBondContact O-N 3.06Å; Q451-Q476 WeakPolarHBondContact CA-O 3.22Å; Q451-Q476 WeakPolarHBondContact CG-O 3.32Å
452W35.5Very low34.9Very low149 Ų149107 Ų10756%0.56456%0.555SS**G310 helixtrans-54.3-25.6-170.6-174.9-98.7000114.2S454 M455W452-S454 PolarHBondContact O-N 2.95Å; W452-S454 VanDerWaalsContact O-N 3.08Å; W452-M455 HydrophobicContact CE3-CE 3.79Å; W452-M455 HydrophobicContact CH2-CE 4.27Å; W452-M455 HydrophobicContact CZ3-CE 3.51Å
453N37.3Very low34.6Very low136 Ų136112.4 Ų112.473%0.72757%0.57SS**G310 helixtrans-71.61.9178.7-58.6-8.9000114.1Q451Q451-N453 PolarHBondContact O-N 2.97Å
454S32.7Very low34.4Very low80 Ų80111.2 Ų111.256%0.55956%0.561SS**G310 helixtrans-125.310-172.9-48.80000114.4Q451 W452Q451-S454 PolarHBondContact O-N 3.06Å; W452-S454 PolarHBondContact O-N 2.95Å; W452-S454 VanDerWaalsContact O-N 3.08Å
455M30.4Very low33.9Very low63 Ų63112.6 Ų112.631%0.3157%0.567SS.*PPolyproline II helixtrans-94.2136.9178.6-82.6-146.9-62.100113.7L450 W452L450-M455 HydrophobicContact CD1-CG 4.37Å; W452-M455 HydrophobicContact CE3-CE 3.79Å; W452-M455 HydrophobicContact CH2-CE 4.27Å; W452-M455 HydrophobicContact CZ3-CE 3.51Å
456P29.6Very low33.4Very low117 Ų117113.5 Ų113.576%0.7658%0.577SS**PPolyproline II helixtrans-61.1142.5162.9-1528.9000110.4L458P456-L458 PolarHBondContact O-N 3.47Å
457R29.3Very low33.1Very low253 Ų253114.5 Ų114.596%0.95558%0.583SS**PPolyproline II helixtrans-54.9129.1-177-61.9-174.6-175.2-1462.7111.2
458L30.8Very low32.8Very low119 Ų119113.7 Ų113.762%0.62358%0.58SS**PPolyproline II helixtrans-66.8154.8174.5-82.4161.6000111.3P456 T460P456-L458 PolarHBondContact O-N 3.47Å; L458-T460 PolarHBondContact O-N 3.43Å
459P28.2Very low32.7Very low92 Ų92113.5 Ų113.560%0.59758%0.582SS**PPolyproline II helixtrans-56.6132.9-178.7-22.632.4000112.8D461P459-D461 PolarHBondContact O-N 3.04Å; P459-D461 VanDerWaalsContact O-N 3.08Å
460T30.7Very low32.3Very low136 Ų136116.6 Ų116.683%0.83459%0.59SS**THydrogen-bonded Turntrans-67.8-2.1-171.5-17.20000115.4L458 L462L458-T460 PolarHBondContact O-N 3.43Å; T460-L462 VanDerWaalsContact C-N 3.27Å; T460-L462 PolarHBondContact O-N 2.85Å
461D33.8Very low32.5Very low151 Ų151122.2 Ų122.281%0.80762%0.615SS**THydrogen-bonded Turntrans-86.22.3179-81.8-29.1000113.9P459P459-D461 PolarHBondContact O-N 3.04Å; P459-D461 VanDerWaalsContact O-N 3.08Å
462L33.6Very low32.4Very low104 Ų104118.6 Ų118.655%0.54560%0.597SS.*SBendtrans-105.6104.6169.2-84.7169000106.8T460 V464T460-L462 VanDerWaalsContact C-N 3.27Å; T460-L462 PolarHBondContact O-N 2.85Å; L462-V464 HydrophobicContact CB-CB 4.28Å; L462-V464 HydrophobicContact CB-CG2 3.59Å; L462-V464 HydrophobicContact CD2-CG2 4.02Å; L462-V464 HydrophobicContact CG-CG2 4.27Å; L462-V464 PolarHBondContact O-N 2.94Å
463D30.7Very low32.2Very low170 Ų170117.5 Ų117.591%0.90960%0.603SS**  trans-6363.9165.5-86.5-30.2000110.1
464V34.2Very low31.9Very low75 Ų75115.1 Ų115.146%0.45559%0.586SS.*  trans-103.619.5-175.3178.90000110.5L462 G466 F469L462-V464 HydrophobicContact CB-CB 4.28Å; L462-V464 HydrophobicContact CB-CG2 3.59Å; L462-V464 HydrophobicContact CD2-CG2 4.02Å; L462-V464 HydrophobicContact CG-CG2 4.27Å; L462-V464 PolarHBondContact O-N 2.94Å; V464-G466 PolarHBondContact O-N 3.37Å; V464-F469 HydrophobicContact CG1-CE2 3.78Å; V464-F469 HydrophobicContact CG1-CZ 4Å
465E26.3Very low31.8Very low200 Ų200119.5 Ų119.594%0.93559%0.59SS**  trans-83.717163-67-159.4156.200113
466G30.1Very low32Very low25 Ų25122.4 Ų122.426%0.25860%0.603SS.*SBendtrans-73.2145.4175.400000113.4V464 W468V464-G466 PolarHBondContact O-N 3.37Å; G466-W468 PolarHBondContact O-N 2.95Å
467P33.8Very low32.3Very low61 Ų61118 Ų11840%0.39658%0.575SS.*G310 helixtrans-70.417.9-173.68.20.5000116.1N43 F469 R470N43-P467 HydrophobicContact CB-CG 4.44Å; N43-P467 VanDerWaalsContact CG-CG 3.49Å; N43-P467 VanDerWaalsContact ND2-CB 3.27Å; N43-P467 WeakPolarHBondContact ND2-CB 3.27Å; N43-P467 VanDerWaalsContact ND2-CG 3.3Å; N43-P467 WeakPolarHBondContact ND2-CG 3.39Å; N43-P467 VanDerWaalsContact OD1-CD 3.24Å; N43-P467 WeakPolarHBondContact OD1-CD 3.22Å; N43-P467 WeakPolarHBondContact OD1-CG 3.37Å; P467-F469 PolarHBondContact O-N 3.25Å; P467-R470 PolarHBondContact O-N 2.88Å
468W36.9Very low32.6Very low89 Ų89107.9 Ų107.934%0.33754%0.543SS..G310 helixtrans-66.1-16.9-175.4-75.1113.2000115.5Y42 N43 V46 G466Y42-W468 VanDerWaalsContact CB-CZ2 3.48Å; Y42-W468 WeakPolarHBondContact O-CH2 3.39Å; Y42-W468 WeakPolarHBondContact O-CZ2 3.21Å; N43-W468 VanDerWaalsContact CA-CH2 3.43Å; N43-W468 WeakPolarHBondContact O-CH2 3.32Å; N43-W468 PolarHBondContact OD1-NE1 3.27Å; V46-W468 HydrophobicContact CB-CH2 3.17Å; V46-W468 HydrophobicContact CB-CZ2 3.71Å; V46-W468 HydrophobicContact CB-CZ3 3.73Å; V46-W468 HydrophobicContact CG1-CH2 4.34Å; V46-W468 HydrophobicContact CG2-CH2 3.39Å; V46-W468 HydrophobicContact CG2-CZ2 3.42Å; V46-W468 VanDerWaalsContact CG2-CZ2 3.42Å; V46-W468 HydrophobicContact CG2-CZ3 4.37Å; G466-W468 PolarHBondContact O-N 2.95Å
469F35.7Very low33Very low107 Ų107107.8 Ų107.847%0.46953%0.534SS..G310 helixtrans-92.29.3-178.6-61.2-80.5000114V464 P467 Y472V464-F469 HydrophobicContact CG1-CE2 3.78Å; V464-F469 HydrophobicContact CG1-CZ 4Å; P467-F469 PolarHBondContact O-N 3.25Å; F469-Y472 VanDerWaalsContact O-O 3.1Å
470R31.4Very low33.5Very low186 Ų186105.3 Ų105.370%0.70252%0.517SS*.SBendtrans-77-18-176.4-75.6-171.2-170-179.54.6115.2P467P467-R470 PolarHBondContact O-N 2.88Å
471H36.9Very low34Very low149 Ų149103.1 Ų103.169%0.6949%0.494SS*.SBendtrans-111.1-10.5-172.9-65-53.5000115.4
472Y31.8Very low34.2Very low29 Ų2997.1 Ų97.111%0.11447%0.465CS..SBendtrans-117.8118.9161.6-80.5-90.3000107I72 M104 F469 F474I72-Y472 HydrophobicContact CG1-CE1 4.4Å; M104-Y472 HydrophobicContact CE-CD2 4.14Å; M104-Y472 HydrophobicContact CE-CE1 4.37Å; M104-Y472 HydrophobicContact CE-CE2 3.63Å; F469-Y472 VanDerWaalsContact O-O 3.1Å; Y472-F474 HydrophobicContact CG-CE2 4.33Å; Y472-F474 PolarHBondContact O-N 3.14Å
473D31.3Very low34.4Very low126 Ų12697.8 Ų97.867%0.67447%0.468SS*.  trans-64.573.6168.9-102.4-28.8000109.9
474F31.6Very low34.5Very low85 Ų8591.9 Ų91.937%0.37344%0.44SS..  trans-75.3-3.4157.7-82.5-82.3000110.9N105 Y472 Q476N105-F474 HydrophobicContact CB-CE1 4Å; N105-F474 HydrophobicContact CB-CZ 3.72Å; Y472-F474 HydrophobicContact CG-CE2 4.33Å; Y472-F474 PolarHBondContact O-N 3.14Å; F474-Q476 PolarHBondContact O-N 3.45Å
475R31.9Very low34.4Very low172 Ų17294.2 Ų94.265%0.64945%0.446SS*.THydrogen-bonded Turntrans-60.8-4-178.2-76.9-170.1167.3-147.3-5.5116.2
476Q33.9Very low34.7Very low125 Ų12592.9 Ų92.958%0.58444%0.439SS*.THydrogen-bonded Turntrans-127.1-13.2-174.6-64.8-166.6-3.800115.5Q451 F474Q451-Q476 WeakPolarHBondContact CA-O 3.22Å; Q451-Q476 WeakPolarHBondContact CG-O 3.32Å; F474-Q476 PolarHBondContact O-N 3.45Å
477S35.2Very low34.8Very low23 Ų2397 Ų9716%0.16146%0.455CS..  trans-177.3145.1-18032.40000116.5F449 L450F449-S477 VanDerWaalsContact CE2-OG 3.24Å; F449-S477 WeakPolarHBondContact CE2-OG 3.24Å; F449-S477 WeakPolarHBondContact CZ-OG 3.47Å; L450-S477 CarbonylContact O-C 3.53Å; L450-S477 WeakPolarHBondContact O-CA 3.48Å
478C35.1Very low34.6Very low42 Ų42101.3 Ų101.328%0.28447%0.47SS..EExtended strand (participates in β ladder)trans-129.7153.1161.860.60000110.2L450 V480L450-C478 PolarHBondContact N-O 2.94Å; L450-C478 PolarHBondContact O-N 3.24Å; C478-V480 WeakPolarHBondContact SG-CG2 3.44Å
479W40.1Very low34.1Very low117 Ų117104.9 Ų104.944%0.44350%0.495SS..EExtended strand (participates in β ladder)trans-85.8123.4167.3-73.499.8000107.9W447 R448 F449W447-W479 HydrophobicContact CB-CD2 4.33Å; W447-W479 HydrophobicContact CB-CE3 3.48Å; W447-W479 VanDerWaalsContact CB-CE3 3.48Å; W447-W479 HydrophobicContact CB-CZ3 3.94Å; W447-W479 HydrophobicContact CE3-CB 3.72Å; W447-W479 HydrophobicContact CZ3-CB 4.29Å; W447-W479 WeakPolarHBondContact O-CZ3 3.42Å; R448-W479 WeakPolarHBondContact O-CA 3.01Å; F449-W479 HydrophobicContact CB-CE3 4.18Å; F449-W479 HydrophobicContact CB-CH2 4.3Å; F449-W479 HydrophobicContact CB-CZ3 4.1Å; F449-W479 HydrophobicContact CD2-CD2 4.44Å; F449-W479 HydrophobicContact CD2-CZ2 4.28Å
480V38.5Very low33.5Very low40 Ų40103.8 Ų103.824%0.24251%0.506CS..EExtended strand (participates in β ladder)trans-119.7143.4177.7-174.70000107.8R448 L450 C478R448-V480 HydrophobicContact CG-CB 4.27Å; R448-V480 WeakPolarHBondContact CG-O 3.41Å; R448-V480 PolarHBondContact N-O 3.02Å; R448-V480 PolarHBondContact O-N 3.01Å; L450-V480 HydrophobicContact CB-CG2 4.18Å; L450-V480 HydrophobicContact CD1-CB 3.79Å; L450-V480 HydrophobicContact CD1-CG1 4.25Å; L450-V480 HydrophobicContact CD1-CG2 3.61Å; L450-V480 HydrophobicContact CG-CG2 4.37Å; C478-V480 WeakPolarHBondContact SG-CG2 3.44Å
481R40.7Very low33.2Very low90 Ų90100.1 Ų100.134%0.3451%0.506SS..EExtended strand (participates in β ladder)trans-72.3132.7175.8-161175.4-172.3-157.9-1.1109.8I483R481-I483 PolarHBondContact O-N 3.41Å
482A38.2Very low32.5Very low25 Ų2598.5 Ų98.521%0.20751%0.51CS..  trans-70.7115.4169.300000109S446S446-A482 WeakPolarHBondContact O-CB 3.27Å; S446-A482 PolarHBondContact O-N 3.23Å
483I37.5Very low32.2Very low117 Ų117109.2 Ų109.260%0.655%0.551SS**  trans-93.3134.7174.5-56.3173000107.2R481 D487R481-I483 PolarHBondContact O-N 3.41Å; I483-D487 HydrophobicContact CG2-CB 3.59Å
484S33Very low31.8Very low47 Ų47110.6 Ų110.633%0.32955%0.553SS.*  trans-62.1150.2177.9-177.80000110.9E486 D487S484-E486 PolarHBondContact O-N 2.8Å; S484-E486 VanDerWaalsContact O-N 3.08Å; S484-D487 PolarHBondContact O-N 3.39Å; S484-D487 VanDerWaalsContact O-N 3.16Å
485Q33.2Very low31.5Very low124 Ų124110.9 Ų110.958%0.57957%0.571SS**G310 helixtrans-61.6-15.1177-162.2170.3-1.400112.6
486E32.1Very low31.2Very low171 Ų171110.7 Ų110.780%0.79958%0.578SS**G310 helixtrans-81.7-11.8177-79.3163.9148.200115S484 Q488S484-E486 PolarHBondContact O-N 2.8Å; S484-E486 VanDerWaalsContact O-N 3.08Å; E486-Q488 VanDerWaalsContact C-N 3.32Å
487D31.6Very low30.9Very low111 Ų111112.7 Ų112.759%0.59459%0.587SS**G310 helixtrans-90.17.8172.8-75.7-36000112.8I483 S484 L489I483-D487 HydrophobicContact CG2-CB 3.59Å; S484-D487 PolarHBondContact O-N 3.39Å; S484-D487 VanDerWaalsContact O-N 3.16Å; D487-L489 PolarHBondContact O-N 3.05Å; D487-L489 VanDerWaalsContact O-N 3.12Å
488Q30.2Very low30.5Very low152 Ų152116.8 Ų116.871%0.7161%0.613SS**THydrogen-bonded Turntrans-75.913.1177.7-68.5-167.616.100114.6E486E486-Q488 VanDerWaalsContact C-N 3.32Å
489L25.5Very low30.1Very low164 Ų164119.8 Ų119.886%0.85964%0.641SS**THydrogen-bonded Turntrans-121.821.2176.3-69.4174.2000114D487 P491D487-L489 PolarHBondContact O-N 3.05Å; D487-L489 VanDerWaalsContact O-N 3.12Å; L489-P491 WeakPolarHBondContact O-CD 3.49Å
490A24Very low29.4Very low84 Ų84122.6 Ų122.669%0.69466%0.659SS**SBendtrans-87.9108.9158.500000108C492A490-C492 PolarHBondContact O-N 3.15Å
491P24.4Very low28.8Very low109 Ų109132.3 Ų132.371%0.70869%0.691SS**  trans-61.3131.7-168.624.5-31.5000110.2L489 W493L489-P491 WeakPolarHBondContact O-CD 3.49Å; P491-W493 PolarHBondContact O-N 2.7Å; P491-W493 VanDerWaalsContact O-N 3.1Å
492C23.9Very low28.3Very low115 Ų115134.8 Ų134.878%0.77772%0.715SS**  trans-42.5119.7153.1-73.20000107.6A490 Q494A490-C492 PolarHBondContact O-N 3.15Å; C492-Q494 PolarHBondContact O-N 3.18Å
493W23.9Very low27.7Very low255 Ų255145.1 Ų145.197%0.96675%0.749SS**  trans-64.192.3163.9-83.482000107.1P491 A495P491-W493 PolarHBondContact O-N 2.7Å; P491-W493 VanDerWaalsContact O-N 3.1Å; W493-A495 PolarHBondContact O-N 3.08Å
494Q24.2Very low27.2Very low155 Ų155145 Ų14572%0.72476%0.759SS**  trans-60.2111.8153.2-76.8177.3-72.800105.8C492 E496C492-Q494 PolarHBondContact O-N 3.18Å; Q494-E496 HydrophobicContact CB-CG 4.46Å; Q494-E496 PolarHBondContact O-N 2.95Å
495A25.3Very low27Very low90 Ų90146.6 Ų146.674%0.74477%0.774SS**  trans-66.689.2153.900000106.5W493 H497W493-A495 PolarHBondContact O-N 3.08Å; A495-H497 VanDerWaalsContact C-N 3.32Å; A495-H497 PolarHBondContact O-N 3.01Å
496E23.9Very low26.9Very low168 Ų168150.6 Ų150.679%0.78579%0.791SS**  trans-62.398159.8-71-167.3157.200107.4Q494Q494-E496 HydrophobicContact CB-CG 4.46Å; Q494-E496 PolarHBondContact O-N 2.95Å
497H27.8Very low26.6Very low168 Ų168147.3 Ų147.378%0.77879%0.793SS**  trans-79.7119.5154.1-93.3-73.4000107.2A495 A499A495-H497 VanDerWaalsContact C-N 3.32Å; A495-H497 PolarHBondContact O-N 3.01Å; H497-A499 PolarHBondContact O-N 2.96Å; H497-A499 VanDerWaalsContact O-N 3.13Å
498P27.3Very low26.6Very low109 Ų109146.9 Ų146.971%0.70881%0.805SS**  trans-68.2113.5168.8-0.715.4000107.3E500P498-E500 PolarHBondContact O-N 3.09Å
499A26.9Very low26.7Very low105 Ų105145.2 Ų145.287%0.86881%0.807SS**  trans-71.575.7165.900000109.2H497H497-A499 PolarHBondContact O-N 2.96Å; H497-A499 VanDerWaalsContact O-N 3.13Å
500E25.8Very low27Very low176 Ų176142.6 Ų142.682%0.82280%0.802SS**  trans-12785.5168.9-83.1-167154.100109.9P498P498-E500 PolarHBondContact O-N 3.09Å
501R26.4Very low27.4Very low244 Ų244144.4 Ų144.492%0.92181%0.805SS**SBendtrans166.491.5146.6-97.2177.5-162.4-152.84.6108.2
502V29.3Very low27.8Very low141 Ų141146 Ų14686%0.85581%0.808SS**  trans-179.184131.5176.50000105.1
503R25.6Very low28.4Very low243 Ų243144.9 Ų144.992%0.91780%0.801SS**  trans-98.9149.3155.1-86.6-173.2-178.2173.12.1107.1
504S27.2Very low28.9Very low115 Ų115139 Ų13980%0.80479%0.788SS**  trans99.6110.9-172.5-44.60000110.1
505A28Very low29.6Very low79 Ų79139.7 Ų139.765%0.65379%0.791SS**  cis-161.6163.420.100000111.5
506F30.6Very low29.9Very low209 Ų209138.8 Ų138.892%0.91779%0.791SS**  trans8589.4164.8-61-76000118.7
507A27.1Very low30.4Very low102 Ų102137.8 Ų137.884%0.84380%0.797SS**  trans-99.6127.1144.900000108.6
508A31.4Very low30.7Very low102 Ų102134.5 Ų134.584%0.84379%0.79SS**  trans-170.7144135.200000110.1
509P32.3Very low30.7Very low117 Ų117138.3 Ų138.376%0.7680%0.796SS**  trans-112177.1-162.939.5-26.8000114.6
510S31.5Very low30.8Very low109 Ų109144.4 Ų144.476%0.76280%0.796SS**  trans76.2138.6166.378.50000114.8
511T32.6Very low30.9Very low121 Ų121140.5 Ų140.574%0.74279%0.794SS**  cis-161.215430.735.20000111
512D33.3Very low31.1Very low144 Ų144140 Ų14077%0.7779%0.792SS**  trans91.2127.5137.7-108.9-36.1000124.2
513S35Very low31.1Very low90 Ų90140.1 Ų140.163%0.62979%0.788SS**  trans58.5139.5146.9-0.60000119.4
514D36Very low31.2Very low131 Ų131136.6 Ų136.670%0.70178%0.782SS**  cis-172.1154.719.2-139.1-0.2000110.8
515Q37.3Very low31.4Very low170 Ų170140.7 Ų140.779%0.79479%0.788SS**  trans64.3119.3153.9-61.617232.200118.8
516G32.3Very low31.3Very low72 Ų72145.1 Ų145.174%0.74280%0.795SS**  cis125.1134.147.900000105.4
517T34.8Very low31.3Very low147 Ų147141.7 Ų141.790%0.90280%0.796SS**  cis-169.4159.734.9-10.90000109.4
518P33.8Very low31.4Very low98 Ų98141.6 Ų141.664%0.63680%0.795SS**  trans-118.7-178.1-171.727.8-6.1000115.9
519F27Very low31.4Very low189 Ų189142.6 Ų142.683%0.82979%0.793SS**  trans79.8147.2168.9-68.5-84.6000116.9
520R29.3Very low31.5Very low234 Ų234144 Ų14488%0.88380%0.8SS**  cis-166.8152.527.2-142.2172.9-169.9176.82110.5
521A28.1Very low31.4Very low93 Ų93145 Ų14577%0.76981%0.807SS**  trans-72.8151.5169.600000112.9
522R31.6Very low31.3Very low233 Ų233142.3 Ų142.388%0.87980%0.803SS**  trans-154.6114.6158.3-106.4-173-176173.41.6112.5
523D29.3Very low31.3Very low144 Ų144142 Ų14277%0.7781%0.809SS**  trans45.4129.2132.3-57.5-26.5000124.3
524E26.6Very low30.8Very low169 Ų169143.8 Ų143.879%0.7982%0.82SS**  trans-14.2131.9154.9-65.7177.9111.100118.9
525Q31.7Very low30.3Very low201 Ų201145.7 Ų145.794%0.93983%0.829SS**  trans-146.3126.5136.1-129.4162.47.100112
526Q26.5Very low29.7Very low172 Ų172144 Ų14480%0.80483%0.834SS**  trans-69136.9-179-71.1151.3-24.800112.1
527C29.4Very low29.4Very low138 Ų138144 Ų14493%0.93284%0.835SS**  trans-150.5128147.5-92.70000109.3
528A30Very low29.1Very low99 Ų99145 Ų14582%0.81883%0.834SS**  trans-94.4-171.6-172.400000111.9
529P31.8Very low28.6Very low123 Ų123149 Ų14980%0.79984%0.843SS**  -115.5147.2-108.930.1-10.8000113.8
530T34Very low28.8Very low147 Ų147147.8 Ų147.890%0.90285%0.845SS**  trans-128.2128.4159.235.90000109.8
531S29.7Very low28.5Very low130 Ų130145.1 Ų145.191%0.90984%0.842SS**  trans-91122.4-157.539.20000113.4
532G29.3Very low28.6Very low64 Ų64145.8 Ų145.866%0.6684%0.841SS**  trans179.1118.5160.900000110C534G532-C534 PolarHBondContact O-N 3.44Å
533P32.9Very low28.6Very low138 Ų138139.6 Ų139.690%0.89683%0.834SS**  trans-85.9103.9-178.930.9-27.4000110.3
534C25.8Very low28.5Very low127 Ų127141.6 Ų141.686%0.85884%0.838SS**  trans-69.2137.6157.9-86.90000110.4G532 C536G532-C534 PolarHBondContact O-N 3.44Å; C534-C536 PolarHBondContact O-N 3.47Å
535L25.7Very low28.7Very low171 Ų171143.2 Ų143.290%0.89584%0.843SS**  trans-76108175.5-76153.3000110.6
536C24.9Very low28.8Very low134 Ų134139 Ų13991%0.90583%0.834SS**  trans-159122.7160-78.30000109.1C534C534-C536 PolarHBondContact O-N 3.47Å
537G24.4Very low29Very low73 Ų73135.8 Ų135.875%0.75383%0.827SS**  trans146.496.4166.700000114.2
538L28.4Very low29.2Very low169 Ų169133 Ų13389%0.88582%0.823SS**  174.194.6125-89.5163.9000108.6
539H24.4Very low28.9Very low181 Ų181141 Ų14184%0.83884%0.839SS**  trans-78.4130.5159.9-121.5-82.3000107.3
540L30.2Very low28.8Very low163 Ų163141.9 Ų141.985%0.85384%0.841SS**  trans-130.7118.9156.3-123.994.2000107.7
541E24.7Very low28.5Very low178 Ų178141.6 Ų141.683%0.83284%0.838SS**  trans-67.6140.9177.3-73.7172.311800111.8
542S29.6Very low28.4Very low107 Ų107142.3 Ų142.375%0.74883%0.834SS**  trans-156.8115.6141.8340000111.5
543S30.5Very low28.4Very low104 Ų104146.9 Ų146.973%0.72784%0.844SS**  trans64.693.8145.141.30000120.4
544Q27.9Very low28.1Very low185 Ų185147.4 Ų147.486%0.86484%0.841SS**  37.1104.2119.5-67.1177.6-0.100118.4
545F31.3Very low28.2Very low204 Ų204148.8 Ų148.890%0.89584%0.84SS**  trans-145.5140.5133.8-89.1-80.3000108.1
546P32.6Very low28.4Very low113 Ų113147.2 Ų147.273%0.73484%0.836SS**  trans-77.5153.8-172.632-32.6000111.7
547P32.4Very low28.7Very low103 Ų103148.2 Ų148.267%0.66983%0.831SS**  trans-84140.3-176.233.7-31.4000111.4F549P547-F549 WeakPolarHBondContact CB-O 3.22Å; P547-F549 PolarHBondContact O-N 3.26Å
548G31.7Very low29.1Very low81 Ų81154.5 Ų154.584%0.83584%0.837SS**  trans-75.6105.2141.900000107.5
549F25.1Very low29.1Very low266 Ų266153.2 Ų153.2100%1.16783%0.833SS**  trans79.60-176.4-70.5-79.3000118.3P547P547-F549 WeakPolarHBondContact CB-O 3.22Å; P547-F549 PolarHBondContact O-N 3.26Å

Retrieved 549 of 549 residues in 86.2 ms (Link to these results)

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